SCHEMBL4098066

SCHEMBL4098066

O=CNc1cccc(C=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
UNG P13051 1/20 0.44
SRC P12931 1/20 0.43
CYP2A6 P11509 1/20 0.42
HTR7 P34969 1/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
LIMK1 P53667 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35
CDK8 P49336 1/20 0.35
EGFR P00533 1/20 0.35
BRD4 O60885 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
SCHEMBL12129057 0.84 ALDH1A1 (0.67) ALDH1A1LIMK1KDM4E
SCHEMBL8724149 0.78 UNG (0.48) ALDH1A1UNGSRCCYP2A6HTR7
SCHEMBL95532 0.78 ALDH1A1 (0.48) ALDH1A1UNGSRCCYP2A6HTR7
SCHEMBL29951547 0.78 UNG (0.48) ALDH1A1UNGSRCCYP2A6HTR7
SCHEMBL9609000 0.78 ALDH1A1 (0.48) ALDH1A1UNGSRCCYP2A6HTR7
SCHEMBL19481503 0.78 ALDH1A1 (0.48) ALDH1A1UNGSRCCYP2A6HTR7
SCHEMBL13299323 0.78 ALDH1A1 (0.48) ALDH1A1UNGSRCCYP2A6HTR7
SCHEMBL13503132 0.77 ENPP2 (0.50) ALDH1A1MAOAMAOBLIMK1KDM4E
SCHEMBL29712437 0.77 ALDH1A1 (0.60) ALDH1A1UNGCYP2A6HTR7TRIM24
SCHEMBL416655 0.77 ALDH1A1 (0.60) ALDH1A1UNGCYP2A6HTR7TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017030859-A1 CCK2R-DRUG CONJUGATES ENDOCYTE, INC. (US) 2017-02-23 WO disclosed
US-8445516-B2 Pharmaceutical composition for promoting angiogenesis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-21 US disclosed
US-20090187025-A1 Pharmaceutical composition for promoting angiogenesis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-23 US disclosed
EP-1708705-B1 USE OF PIPERIDINE DERIVATIVES FOR PROMOTING ANGIOGENESIS OTSUKA PHARMA CO LTD (JP) 2009-02-18 EP disclosed
EP-1708705-A1 PHARMACEUTICAL COMPOSITION FOR PROMOTING ANGIOGENESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-10-11 EP disclosed
WO-2005072734-A1 PHARMACEUTICAL COMPOSITION FOR PROMOTING ANGIOGENESIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 WO disclosed
US-3931142-A Heterocyclic containing disazo compounds CIBA-GEIGY AG (CH) 1976-01-06 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 (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-20090187025-A1 Pharmaceutical composition for promoting angiogenesis FLT1, FLT4, KDR ALDH1A1 246/4885UNG 4871/4885SRC 2485/4885

“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.