SCHEMBL4432713

SCHEMBL4432713

COc1nc2ccccc2cc1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.61
KDM4E B2RXH2 5/20 0.49
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
TLR8 Q9NR97 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BTK Q06187 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IRAK1 P51617 2/20 0.43
PLA2G10 O15496 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 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
SCHEMBL29934771 1.00 IKBKB (0.61) IKBKBKDM4EPPARDPPARATLR8
SCHEMBL22263501 0.85 PPARD (0.47) IKBKBKDM4EPPARDPPARATLR8
SCHEMBL3715949 0.85 KDM4E (0.56) IKBKBKDM4EPPARDPPARAMAPT
SCHEMBL31423348 0.85 KDM4E (0.56) IKBKBKDM4EPPARDPPARAMAPT
SCHEMBL6603045 0.84 KDM4E (0.51) IKBKBKDM4EPPARDPPARAMAPT
SCHEMBL15564276 0.83 IKBKB (0.45) IKBKBKDM4EPPARDPPARATLR8
SCHEMBL15563826 0.83 ALDH1A1 (0.52) IKBKBKDM4EPPARDPPARAMAPT
SCHEMBL2913722 0.83 ALDH1A1 (0.57) IKBKBKDM4EPPARATLR8SMN1; SMN2
SCHEMBL15945346 0.81 SMN1; SMN2 (0.50) IKBKBKDM4EPPARDPPARAMAPT
SCHEMBL8130480 0.81 IKBKB (0.58) IKBKBKDM4EPPARDPPARASMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102414190-B Inhibitors of NF-kB PROFECTUS BIOSCIENCES INC 2015-06-03 CN claimed
US-8513421-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-20 US claimed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP claimed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO claimed
CN-107949559-A Bicyclic fused heteroaryl or aryl compounds as IRAK4 modulators 辉瑞公司 2018-04-20 CN disclosed
CN-102414190-B Inhibitors of NF-kB PROFECTUS BIOSCIENCES INC 2015-06-03 CN disclosed
US-20090270450-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-10-29 US disclosed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 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 (1 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-20090270450-A1 CHEMICAL COMPOUNDS CSF1R, CSF3R, FLT3 IKBKB 301/4885KDM4E 1916/4885PPARD 2221/4885

“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.