SCHEMBL1926329

SCHEMBL1926329

c1ccc(CN[C@H](Cc2c[nH]c3ccccc23)c2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR84 Q9NQS5 2/20 0.42
SSTR1 P30872 1/20 0.41
ECE1 P42892 1/20 0.41
GHSR Q92847 1/20 0.40
BRS3 P32247 1/20 0.40
AIMP2 Q13155 1/20 0.40

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
SCHEMBL27584284 1.00 KCNT1 (0.46) KCNT1MEN1KMT2ANPC1LMNA
SCHEMBL6718770 0.83 AIMP2 (0.49) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL1928809 0.83 MEN1 (0.43) KCNT1MEN1KMT2AGPR84SSTR1
SCHEMBL27564431 0.83 MEN1 (0.43) KCNT1MEN1KMT2AGPR84SSTR1
SCHEMBL27564473 0.82 KCNT1 (0.48) KCNT1MEN1KMT2AGPR84SSTR1
SCHEMBL1928410 0.82 KCNT1 (0.48) KCNT1MEN1KMT2AGPR84SSTR1
SCHEMBL1927672 0.82 KCNT1 (0.48) KCNT1MEN1KMT2AGPR84SSTR1
SCHEMBL1928073 0.81 CTSL (0.52) MEN1KMT2ANPC1RAB9AECE1
SCHEMBL27564442 0.81 CTSL (0.52) MEN1KMT2ANPC1RAB9AECE1
SCHEMBL27469772 0.80 SSTR1 (0.54) MEN1KMT2ANPC1LMNAHPGD

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 16 patents. 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
CN-1391474-A 5-membered heterocyclic derivatives, their preparation and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2003-01-15 CN 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-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-20070179153-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) 2007-08-02 US disclosed
US-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SCRAS 2007-01-25 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-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 (6 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-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, COMT KCNT1 4620/4885MEN1 2860/4885KMT2A 4007/4885
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, SDHA KCNT1 4583/4885MEN1 3085/4885KMT2A 3430/4885
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 KCNT1 1067/4885MEN1 4429/4885KMT2A 3902/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 KCNT1 228/4885MEN1 4271/4885KMT2A 2676/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 KCNT1 764/4885MEN1 4280/4885KMT2A 3849/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 KCNT1 582/4885MEN1 4015/4885KMT2A 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.