SCHEMBL972811

SCHEMBL972811

COC(=O)Cc1cs[c]n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HSP90AB1 P08238 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
RPS6KB2 Q9UBS0 1/20 0.34

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
SCHEMBL969056 0.79 KMT2A (0.32) ALDH1A1MEN1KMT2A
SCHEMBL753480 0.77
SCHEMBL5600137 0.76 PDE5A (0.40) MEN1KMT2AKDM4E
SCHEMBL8086941 0.71 CYP4F2 (0.45) ALDH1A1HSD17B10CYP4F2CYP4A11MEN1
SCHEMBL5672910 0.69 MAPK1 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL15725258 0.69 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL743243 0.68
SCHEMBL15709932 0.68 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL972652 0.68
SCHEMBL9709994 0.68 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2RAB9ANPC1TP53

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 51 patents — showing the first 20. 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 claimed
EP-1940840-B1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-21 EP claimed
US-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 US claimed
CN-102947311-B 3-oxo-3, 9-dihydro-1H-benzopyrano [2,3-C ] pyrroles as glucokinase activators HOFFMAN-LA ROCHE LTD. (CH) 2015-11-25 CN disclosed
CN-102007118-B Pyrrolidinone glucokinase activators HOFFMANN LA ROCHE 2014-12-31 CN disclosed
CN-102007116-B Pyridazinone glucokinase activators HOFFMAN-LA ROCHE LTD. (CH) 2014-10-22 CN disclosed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
CN-102947311-A 3-oxo-3, 9-dihydro-1H-benzopyrano [2,3-C ] pyrroles as glucokinase activators HOFFMANN LA ROCHE 2013-02-27 CN disclosed
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
CN-102791131-A Compounds and methods GLAXOSMITHKLINE LLC 2012-11-21 CN disclosed
US-20070093507-A1 Compositions comprising benzo (g) quinoline derivatives and prostaglandin derivatives LAMBROU GEORGE N 2007-04-26 US disclosed
US-20070043029-A1 11-Phenyl-dibenzodiazepine derivatives as rxr-antagonists NOVARTIS AG (CH) 2007-02-22 US disclosed
EP-1663230-A1 COMPOSITIONS COMPRISING BENZO(G)QUINOLINE DERIVATIVES AND PROSTAGLANDIN DERIVATIVES Novartis AG (CH) 2006-06-07 EP disclosed
EP-1618096-A1 11-PHENYL-DIBENZODIAZEPINE DERIVATIVES AS RXR-ANTAGONISTS Novartis AG (CH) 2006-01-25 EP disclosed
WO-2005023258-A1 COMPOSITIONS COMPRISING BENZO (G) QUINOLINE DERIVATIVES AND PROSTAGLANDIN DERIVATIVES NOVARTIS AG (CH) 2005-03-17 WO disclosed
WO-2004089916-A1 11-PHENYL-DIBENZODIAZEPINE DERIVATIVES AS RXR-ANTAGONISTS NOVARTIS AG (CH) 2004-10-21 WO disclosed
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 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 (5 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-20070043029-A1 11-Phenyl-dibenzodiazepine derivatives as rxr-antagonists RXRB, RXRA, RXRG ALDH1A1 2952/4885SMN1; SMN2 2655/4885RAB9A 1436/4885
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD ALDH1A1 902/4885SMN1; SMN2 2275/4885RAB9A 3528/4885
US-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 ALDH1A1 555/4885SMN1; SMN2 2641/4885RAB9A 651/4885
US-20070093507-A1 Compositions comprising benzo (g) quinoline derivatives and prostaglandin derivatives PTGIS, PTGES, PTGS2 ALDH1A1 1871/4885SMN1; SMN2 4712/4885RAB9A 1965/4885
US-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof CYP11B2, CYP11B1, CYP2D6 ALDH1A1 283/4885SMN1; SMN2 3153/4885RAB9A 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.