SCHEMBL1081996

SCHEMBL1081996

CCOC(=O)CCc1csc(N)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
GABRA5 P31644 1/20 0.49
GABRB2 P47870 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NOS1 P29475 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43

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
SCHEMBL27408432 0.91 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTNPC1
Bromide SCHEMBL7138577 0.90 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL8445 0.84 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL27527998 0.84 GABRA5 (0.51) MEN1KMT2AALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL1631420 0.83 GABRA5 (0.50) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL1261680 0.82 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL999674 0.79 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL14643164 0.79 LMNA (0.47) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL27683802 0.79 SMN1; SMN2 (0.54) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL27942439 0.78 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016112513-A1 COMPOUNDS AND METHODS FOR INDUCING MESENCHYMAL STEM CELLS INTO CHONDROCYTES GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-07-21 WO disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8921576-B2 Spiroindoline compound, and medicinal agent comprising same KOWA COMPANY, LTD. (JP) 2014-12-30 US disclosed
US-20140309207-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME KOWA COMPANY, LTD (JP) 2014-10-16 US disclosed
EP-2781521-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2014-09-24 EP disclosed
CN-103664897-A Dihydropyrimidine compounds and application thereof in medicines GUANGDONG HEC PHARMACEUTICAL 2014-03-26 CN disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
US-8148413-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2012-04-03 US disclosed
WO-2011095997-A1 BENZAMIDE COMPOUNDS AS GLUCOKINASE ACTIVATORS AND THEIR PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-08-11 WO disclosed
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2011-04-07 US disclosed
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 BIOVITRUM AB 2010-05-06 US disclosed
US-7618961-B2 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2009-11-17 US disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed
US-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes NOVO NORDISK A/S (DK) 2007-02-01 US disclosed
CN-1249039-C Inhibitors of 11 beta-hydroxysteroid dehydrogenase type I BIOVITRUM AB (SE) 2006-04-05 CN disclosed
US-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2004-11-11 US disclosed
CN-1438997-A Inhibitors of 11-beta-hydroxy steroid dehydrogenase type I BIOVITRUM AB (SE) 2003-08-27 CN disclosed
EP-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP disclosed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO disclosed
EP-0794185-A1 BICYCLIC THIAZOLE COMPOUND MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-09-10 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 (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-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes GALK1, GCKR, GCK MEN1 4335/4885KMT2A 3033/4885ALDH1A1 2638/4885
US-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 MEN1 832/4885KMT2A 3300/4885ALDH1A1 55/4885
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD3B1 MEN1 752/4885KMT2A 3769/4885ALDH1A1 59/4885
US-20140309207-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME GCKR, GCK, GALK1 MEN1 1769/4885KMT2A 3290/4885ALDH1A1 575/4885
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES GCKR, GCK, GALK1 MEN1 3174/4885KMT2A 1570/4885ALDH1A1 1240/4885

“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.