SCHEMBL11833656

SCHEMBL11833656

Cc1nc(C(=O)O)sc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NOS1 P29475 1/20 0.41
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
PKM P14618 3/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.35
DAO P14920 1/20 0.35
GAA P10253 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
GPR35 Q9HC97 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
SCHEMBL569821 0.81 NOS1 (0.41) ALDH1A1TSHRNOS1RAB9ANPC1
SCHEMBL2677906 0.79 NOS1 (0.44) ALDH1A1NOS1RAB9ANPC1PKM
SCHEMBL11229318 0.79 NOS1 (0.39) ALDH1A1HPGDTSHRNOS1RAB9A
SCHEMBL3655946 0.79 ALDH1A1 (0.61) ALDH1A1HPGDTSHRRAB9ANPC1
SCHEMBL12179254 0.77 ALDH1A1 (0.46) ALDH1A1HPGDNOS1RAB9ANPC1
SCHEMBL9995995 0.77 ALDH1A1 (0.39) ALDH1A1HPGDTSHRRAB9ANPC1
SCHEMBL27870394 0.77 ALDH1A1 (0.44) ALDH1A1HPGDTSHRRAB9ANPC1
SCHEMBL560401 0.77 GPR35 (0.40) ALDH1A1HPGDTSHRRAB9ANPC1
SCHEMBL23835836 0.76 NOS1 (0.37) ALDH1A1HPGDTSHRNOS1RAB9A
SCHEMBL13819563 0.76 ALDH1A1 (0.47) ALDH1A1HPGDTSHRNOS1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167944-B Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors 联合疗法公司 2024-08-23 CN claimed
US-20250353860-A1 PIPERIDINE CARBOXAMIDE AZAINDANE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF BRISE PHARMACEUTICALS CO., LTD. (CN) 2025-11-20 US disclosed
EP-4516793-A1 PIPERIDINE CARBOXAMIDE AZAINDANE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF Brise Pharmaceuticals Co., Ltd. (CN) 2025-03-05 EP disclosed
EP-3487856-B1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE BAYER AG (DE) 2025-01-22 EP disclosed
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-11-21 US disclosed
CN-110167944-B Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors 联合疗法公司 2024-08-23 CN disclosed
EP-4192814-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-08-07 EP disclosed
WO-2024107778-A1 NOVEL PROTEASE INHIBITORS FOR TREATMENT OF CORONAVIRUS INFECTIONS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-05-23 WO disclosed
CN-117616011-A Inhibitors of transglutaminase 策迪拉有限公司 2024-02-27 CN disclosed
US-20240032421-A1 Charge Transporting Material, Organic Electroluminescent Element, Light Emitting Device, Display Device And Illumination Device UDC IRELAND LIMITED (IE) 2024-01-25 US disclosed
US-20140034914-A1 Organic Electroluminescent Device; A Charge Transporting Material For The Organic Electroluminescent Device; And A Luminescent Device, A Display Device And A Lighting System Using The Organic Electroluminescent Device UDC IRELAND LIMITED (IE) 2014-02-06 US disclosed
WO-2013050424-A1 NOVEL CHIRAL N-ACYL-5,6,7,(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS AND CHIRAL SYNTHESIS THEREOF EUROSCREEN S.A. (BE) 2013-04-11 WO disclosed
WO-2013050424-A1 NOVEL CHIRAL N-ACYL-5,6,7,(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS AND CHIRAL SYNTHESIS THEREOF EUROSCREEN S.A. (BE) 2013-04-11 WO disclosed
CN-1826333-B Diamine derivatives DAIICHI SANKYO CO LTD 2012-12-26 CN disclosed
CN-1751025-B Diamine derivatives DAIICHI SEIYAKU CO 2010-05-12 CN disclosed
CN-100545160-C Diamine derivative DAIICHI SEIYAKU CO (JP) 2009-09-30 CN disclosed
CN-1894238-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-10 CN disclosed
CN-1826333-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-08-30 CN disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN disclosed
US-3985740-A THERAPEUTIC AND ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1976-10-12 US 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 (3 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-20250353860-A1 PIPERIDINE CARBOXAMIDE AZAINDANE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF CALCR, CNR2, CALCRL ALDH1A1 1732/4885HPGD 596/4885TSHR 993/4885
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 ALDH1A1 1825/4885HPGD 671/4885TSHR 3418/4885
US-20240032421-A1 Charge Transporting Material, Organic Electroluminescent Element, Light Emitting Device, Display Device And Illumination Device TMEM109, SLC39A11, SLC39A14 ALDH1A1 981/4885HPGD 4502/4885TSHR 2815/4885

“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.