SCHEMBL678452

SCHEMBL678452

[c]1nc(-c2cccs2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 8/20 0.50
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HSD17B10 Q99714 7/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL1360297 0.69 ALDH1A1 (0.46) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL70645 0.68 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL443517 0.68 LMNA (0.43) KDM4EKMT2AMAPTNPC1RAB9A
SCHEMBL1201661 0.68 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL9454292 0.68 DYRK1A (0.34)
SCHEMBL19347423 0.68 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6
SCHEMBL679889 0.68 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL498897 0.67 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL1379282 0.67 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL2710465 0.67 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592072-B1 Human protein tyrosine phosphatase inhibitors and their use AERPIO THERAPEUTICS INC (US) 2017-09-20 EP claimed
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP claimed
US-20140243371-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-08-28 US claimed
EP-2768828-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES Syngenta Participations AG (CH) 2014-08-27 EP claimed
EP-2271613-B1 HYDROXYMETHYLCYCLOHEXYLAMINES GRUENENTHAL GMBH (DE) 2014-06-18 EP claimed
WO-2013056911-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2013-04-25 WO claimed
US-8288406-B2 Hydroxymethylcyclohexylamines GRUENENTHAL GMBH (DE) 2012-10-16 US claimed
US-20110059999-A1 Hydroxymethylcyclohexylamines Grünenthal GmbH (DE) 2011-03-10 US claimed
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP claimed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP claimed
US-7135486-B1 Adenosine A1, A2a, and A2b receptor ligands; coupling the 2-mercapto-3,5-dicyano-4-aryl-6-aminopyridine to a substituted alkyl or alkenyl compound; antiischemic agents; cardiovascular disorders BAYER AKTIENGESELISCHAFT (DE) 2006-11-14 US claimed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO claimed
EP-1368342-B1 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2005-09-07 EP claimed
US-20040157834-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor PFIZER INC 2004-08-12 US claimed
US-6720330-B2 INCREASING SECRETION OF GROWTH HORMONE, GASTRIN, OR GLUCAGON IN A MAMMAL; INHIBITING THE BINDING OF SOMATOSTATIN TO AN SST2 RECEPTOR PFIZER INC. 2004-04-13 US claimed
US-20020091090-A1 Somatostatin antagonists and agonists COLE BRIDGET M (US) 2002-07-11 US claimed
US-20020091125-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor HAY BRUCE A (US) 2002-07-11 US claimed
EP-0769006-A4 GUILFORD PHARM INC (US) 1997-05-28 EP claimed
EP-0769006-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1997-04-23 EP claimed
US-4551460-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1985-11-05 US claimed

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-20110059999-A1 Hydroxymethylcyclohexylamines OPRL1, OPRM1, OPRD1 KDM4E 1466/4885ALDH1A1 610/4885MEN1 3034/4885
US-20140243371-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES ARG1, ARG2, NOX3 KDM4E 4482/4885ALDH1A1 1214/4885MEN1 913/4885
US-20020091090-A1 Somatostatin antagonists and agonists GHSR, GHRHR, SSTR3 KDM4E 1412/4885ALDH1A1 2908/4885MEN1 882/4885
US-20040157834-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor SSTR2, GHSR, SSTR1 KDM4E 4445/4885ALDH1A1 3746/4885MEN1 1156/4885
US-20020091125-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor SSTR2, GHSR, SSTR1 KDM4E 4346/4885ALDH1A1 3752/4885MEN1 1012/4885

“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.