SCHEMBL1017349

SCHEMBL1017349

CCCSc1ccc(C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.59
MAOA P21397 9/20 0.59
AR P10275 3/20 0.51
CYP2A6 P11509 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP19A1 P11511 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL23335199 0.94 MAOB (0.54) MAOBMAOAARCYP2A6CA12
SCHEMBL7065085 0.88 KDM4E (0.57) MAOBMAOAARCYP2A6ALDH1A1
SCHEMBL5694453 0.86 KDM4E (0.56) MAOBMAOAARCYP2A6ALDH1A1
SCHEMBL7846740 0.85 KDM4E (0.54) MAOBMAOAARCYP2A6ALDH1A1
SCHEMBL8386311 0.85 KDM4E (0.54) MAOBMAOAARCYP2A6ALDH1A1
SCHEMBL7835337 0.85 KDM4E (0.54) MAOBMAOAARCYP2A6ALDH1A1
SCHEMBL2984524 0.85 KDM4E (0.54) MAOBMAOAARCYP2A6ALDH1A1
SCHEMBL2979985 0.85 KDM4E (0.54) MAOBMAOAARCYP2A6ALDH1A1
SCHEMBL23335180 0.83 KDM4E (0.53) MAOBMAOAARCYP2A6ALDH1A1
SCHEMBL507156 0.83 MAOB (0.55) MAOBMAOACYP2A6CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
CN-114230523-A Benzimidazole derivatives as modulators of ROR-gamma 生命医药有限责任公司 2022-03-25 CN disclosed
EP-3939974-A1 MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, LLC (US) 2022-01-19 EP disclosed
EP-3939974-A1 MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, LLC (US) 2022-01-19 EP disclosed
CN-109071509-B Benzimidazole derivatives as modulators of ROR-gamma 生命医药有限责任公司 2021-11-30 CN disclosed
EP-3408268-B1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-08-04 EP disclosed
EP-3408268-B1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-08-04 EP disclosed
US-20210094940-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-04-01 US disclosed
US-20210094940-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-04-01 US disclosed
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GUNZNER JANET L (US) 2012-04-19 US disclosed
EP-1789390-B1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH INC (US) 2011-11-09 EP disclosed
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING CURIS ROYALTY LLC 2011-04-21 US disclosed
US-7888364-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2011-02-15 US disclosed
EP-2271642-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2011-01-12 EP disclosed
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 US disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 WO disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 EP disclosed
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling CURIS ROYALTY LLC 2006-03-23 US disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 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 (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-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAOB 3188/4885MAOA 4002/4885AR 1801/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO MAOB 3159/4885MAOA 3998/4885AR 1847/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAOB 3188/4885MAOA 4002/4885AR 1801/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAOB 3188/4885MAOA 4002/4885AR 1801/4885
US-20210094940-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA MAOB 4270/4885MAOA 4572/4885AR 536/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO MAOB 3188/4885MAOA 4002/4885AR 1801/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAOB 3188/4885MAOA 4002/4885AR 1801/4885

“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.