SCHEMBL1929574

SCHEMBL1929574

CC(=O)N1CCN(Cc2nc(-c3ccc4c(c3)Nc3ccccc3S4)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 1/20 0.47
ICAM1 P05362 2/20 0.46
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
CYBB P04839 1/20 0.42
APP P05067 1/20 0.42
ALOX15 P16050 1/20 0.42
SNCA P37840 1/20 0.42
NOX3 Q9HBY0 1/20 0.42
NOX4 Q9NPH5 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
KDM1A O60341 2/20 0.41
DRD4 P21917 1/20 0.40
STAT1 P42224 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 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
SCHEMBL4037542 0.92 MAPK1 (0.40) BAZ2AICAM1KMT2AMEN1GAA
SCHEMBL1928352 0.90 DRD4 (0.42) BAZ2AICAM1KMT2AMEN1GAA
SCHEMBL1927065 0.88 ACKR3 (0.41) DRD4
SCHEMBL1926008 0.88 DRD4 (0.42) BAZ2AKMT2AMEN1GAAMAPT
SCHEMBL1929482 0.88 ALDH1A1 (0.48) KMT2AMEN1GAAMAPTNOX1
Hydrochloric Acid SCHEMBL1927799 0.87 ALDH1A1 (0.47) KMT2AMEN1GAAMAPTNOX1
SCHEMBL1927225 0.86 DRD4 (0.41) KMT2AMEN1GAAMAPTNOX1
SCHEMBL1927926 0.85 ICAM1 (0.40) ICAM1KMT2AMEN1GAAMAPT
SCHEMBL1929691 0.85 SPHK2 (0.42) KMT2AMEN1GAAMAPTCYBB
SCHEMBL1926468 0.84 CTSL (0.42) BAZ2AKMT2AMEN1GAAMAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379514-B1 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS IPSEN PHARMA (FR) 2009-07-15 EP claimed
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
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
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
EP-1379514-B1 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS IPSEN PHARMA (FR) 2009-07-15 EP disclosed
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments LASSAUNIERE PIERRE-ETIENNE CHA 2008-06-19 US disclosed
US-7291641-B2 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) 2007-11-06 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-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
EP-1379514-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-14 EP disclosed
WO-2002083656-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND USE THEREOF AS MAO INHIBITORS AND LIPID PEROXIDATION INHIBITORS, PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-10-24 WO 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 (4 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-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 BAZ2A 3011/4885ICAM1 2126/4885KMT2A 3902/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 BAZ2A 2430/4885ICAM1 1905/4885KMT2A 2676/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 BAZ2A 3351/4885ICAM1 1828/4885KMT2A 3849/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 BAZ2A 3048/4885ICAM1 2296/4885KMT2A 3430/4885

“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.