SCHEMBL4183091

SCHEMBL4183091

[c]1ccc(-c2cccs2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 2/20 0.43
CASP1 P29466 1/20 0.43
MAPK10 P53779 1/20 0.43
CASP7 P55210 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 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
SCHEMBL196791 0.73 KDM4E (0.30) KDM4ECYP1A2LMNA
SCHEMBL6617218 0.73 KDM4E (0.48) KDM4EALDH1A1HPGDMEN1KMT2A
Water SCHEMBL28200435 0.72 KDM4E (0.59) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL17701185 0.72 PIM1 (0.35) KDM4EALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL971977 0.72 KDM4E (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL27722994 0.71 NPC1 (0.40) KDM4EALDH1A1HPGDMAPTNPC1
Ammonia Solution, Strong SCHEMBL28220199 0.71 KDM4E (0.57) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL30596386 0.69 KDM4E (0.61) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL36011 0.69 KDM4E (0.61) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL745903 0.69 HSP90AA1 (0.44) RAB9ACYP1A2ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111778-A1 2-Keto-Oxazoles as Modulators of Fatty Acid Amide Hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US claimed
EP-1954137-A4 2-KETO-OXAZOLES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2008-12-17 EP claimed
EP-1954137-A2 2-KETO-OXAZOLES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-13 EP claimed
WO-2007061862-A2 2-KETO-OXAZOLES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-31 WO claimed
CN-1304415-C Pyrane derivatives as both ACE- and NEP- inhibitors NOVARTIS AG (CH) 2007-03-14 CN claimed
EP-1430045-B1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP-INHIBITORS NOVARTIS AG (CH) 2006-10-11 EP claimed
US-7071169-B2 Pyrane derivatives as both ACE-and NEP-inhibitors NOVARTIS AG (CH) 2006-07-04 US claimed
EP-1080104-B1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 2005-02-09 EP claimed
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors FINK CYNTHIA ANNE (US) 2004-12-30 US claimed
CN-1555372-A Pyrane derivatives as both ace- and nep- inhibitors ��˹��ŵ�� 2004-12-15 CN claimed
EP-1430045-A1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP-INHIBITORS Novartis AG (CH) 2004-06-23 EP claimed
US-6689801-B2 CARDIOVASCULAR DISORDERS; ANTIISCHEMIC AGENTS; HYPOTENSIVE AGENTS; GASTROINTESTINAL DISORDERS NOVARTIS AG (CH) 2004-02-10 US claimed
WO-2003027091-A1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP- INHIBITORS NOVARTIS AG (CH) 2003-04-03 WO claimed
US-20030018057-A1 Certain heteroaryl substituted thiol inhibitors of endothelin-converting enzyme FINK CYNTHIA ANNE (US) 2003-01-23 US claimed
US-6426354-B1 CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS; BRAIN DISORDERS NOVARTIS AG (CH) 2002-07-30 US claimed
EP-1080104-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME Novartis AG (CH) 2001-03-07 EP claimed
WO-1999055723-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 1999-11-04 WO claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-1080104-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME Novartis AG (CH) 2001-03-07 EP disclosed
WO-1999055723-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 1999-11-04 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 (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-20030018057-A1 Certain heteroaryl substituted thiol inhibitors of endothelin-converting enzyme ECE1, ECE2, EDNRB KDM4E 2634/4885ALDH1A1 145/4885HPGD 182/4885
US-20090111778-A1 2-Keto-Oxazoles as Modulators of Fatty Acid Amide Hydrolase FAAH, FAAH2, HCRTR2 KDM4E 150/4885ALDH1A1 820/4885HPGD 794/4885
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors ECE1, AGTR1, ACE KDM4E 1267/4885ALDH1A1 141/4885HPGD 364/4885

“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.