SCHEMBL1927322

SCHEMBL1927322

CC(C)(C)c1cc(-c2csc(CNCc3ccc([N+](=O)[O-])cc3)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.51
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ROCK1 Q13464 1/20 0.43
MAPT P10636 7/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GALR3 O60755 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SGK1 O00141 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 2/20 0.39
GFER P55789 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27564522 0.90 ALDH1A1 (0.46) CNR2ALDH1A1SMN1; SMN2ROCK1MAPT
SCHEMBL1927214 0.89 CNR2 (0.48) CNR2ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1929197 0.84 CNR2 (0.56) CNR2ROCK1GAACNR1
SCHEMBL1929650 0.84 CNR2 (0.58) CNR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1929531 0.83 CNR2 (0.61) CNR2ALDH1A1SMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL1928566 0.83 CNR2 (0.57) CNR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL27577269 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2ROCK1MAPTMEN1
SCHEMBL1929570 0.80 CNR2 (0.62) CNR2ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1927938 0.78 CNR2 (0.64) CNR2GAACNR1
Hydrochloric Acid SCHEMBL1927871 0.77 CNR2 (0.63) CNR2GAACNR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments LASSAUNIERE PIERRE-ETIENNE CHA 2008-06-19 US claimed
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 US claimed
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-08 US claimed
EP-1223933-A2 5-MEMBERED HETEROCYCLE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-24 EP claimed
WO-2001026656-A2 5-MEMBERED HETEROCYCLE DERIVATIVES AND USE THEREOF AS MONOAMINE OXIDASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-04-19 WO claimed
EP-1589007-B1 5-membered heterocycle derivatives, production thereof and their use as medicaments IPSEN PHARMA (FR) 2015-06-03 EP disclosed
US-8288560-B2 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2012-10-16 US disclosed
EP-1228760-B1 5-membered heterocycle derivatives, production thereof and use thereof as medicaments IPSEN PHARMA (FR) 2011-08-31 EP disclosed
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS IPSEN PHARMA S.A.S. (FR) 2011-07-14 US disclosed
US-7956075-B2 Thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives, e.g., butyl 2-(4-[1,1'-biphenyl]-4-yl-1H-imidazol-2-yl)ethylcarbamate inhibit lipidic peroxidation and monoamine oxidase and modulate sodium channels and are used for treating neurodegenerative disorders or pain. IPSEN PHARMA S.A.S. (FR) 2011-06-07 US disclosed
US-7553976-B2 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) (FR) 2009-06-30 US disclosed
US-7459558-B2 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-12-02 US disclosed
EP-1589007-A2 5-membered heterocycle derivatives, production thereof and their use as medicaments Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S) SAS (FR) 2005-10-26 EP disclosed
US-20050187272-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them DE LASSAUNIERE PIERRE ETIENNE (FR) 2005-08-25 US disclosed
US-20050043397-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2005-02-24 US disclosed
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 US disclosed
US-6809088-B2 FOR THERAPY OF STROKE, OF NEURODEGENERATIVE DISEASES AND OF ISCHEMIC OR HEMORRAGIC CARDIAC OR CEREBRAL INFARCTIONS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-10-26 US disclosed
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-08 US disclosed
US-20030078420-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2003-04-24 US disclosed
EP-1228760-A2 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030078420-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them TNNI3, TNNT2, TH CNR2 2087/4885ALDH1A1 1099/4885SMN1; SMN2 185/4885
US-20050187272-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them TNNI3, TNNT2, HMOX2 CNR2 2144/4885ALDH1A1 1409/4885SMN1; SMN2 112/4885
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 CNR2 22/4885ALDH1A1 1758/4885SMN1; SMN2 687/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 CNR2 15/4885ALDH1A1 846/4885SMN1; SMN2 654/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 CNR2 27/4885ALDH1A1 1506/4885SMN1; SMN2 942/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 CNR2 55/4885ALDH1A1 1655/4885SMN1; SMN2 1087/4885
US-20050043397-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them TYR, MB, F2 CNR2 818/4885ALDH1A1 323/4885SMN1; SMN2 569/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.