SCHEMBL1339253

SCHEMBL1339253

COC(=O)/C(=C\N(C)C)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 6/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
APP P05067 1/20 0.38
SNCA P37840 1/20 0.38
BRCA1 P38398 1/20 0.38

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
SCHEMBL1339256 1.00 CYP1A2 (0.47) CYP1A2CYP2C19RAB9AALDH1A1SMN1; SMN2
SCHEMBL21802683 0.85 CA1 (0.44) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL17869401 0.85 ALDH1A1 (0.49) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL17902694 0.85 ALDH1A1 (0.49) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL17869398 0.85 ALDH1A1 (0.49) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL21802682 0.85 CA1 (0.44) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL16110228 0.83 ALDH1A1 (0.53) CYP1A2CYP2C19RAB9AALDH1A1SMN1; SMN2
SCHEMBL1339362 0.83 CYP11B1 (0.53) CYP1A2CYP2C19RAB9AALDH1A1SMN1; SMN2
SCHEMBL1339359 0.83 CYP11B1 (0.53) CYP1A2CYP2C19RAB9AALDH1A1SMN1; SMN2
SCHEMBL1338164 0.83 RAB9A (0.47) CYP1A2RAB9AALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063061-B2 6-(2-amino-1,3-thiazol-4-yl)-3-(2,4-dichlorophenyl)-1-methyl-1,9-dihydro-2H-pyrido[2,3-b]indol-2-one; affinity for GABAA-receptor-associated omega modulatory sites SANOFI-AVENTIS (FR) 2011-11-22 US disclosed
EP-1940840-B1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-21 EP disclosed
US-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
EP-1940840-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP disclosed
WO-2007045758-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-04-26 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 (1 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-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof CYP11B2, CYP11B1, CYP2D6 CYP1A2 12/4885CYP2C19 14/4885RAB9A 2067/4885

“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.