SCHEMBL3976468

SCHEMBL3976468

COc1cc(NC(=O)O)c(Cl)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
AHR P35869 1/20 0.42
RAB9A P51151 1/20 0.42
FGFR3 P22607 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR35 Q9HC97 1/20 0.41

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
SCHEMBL374670 0.87 HSD17B1 (0.48) CYP1A1CYP1A2CYP1B1ALDH1A1KMT2A
SCHEMBL3970186 0.80 ALDH1A1 (0.40) CYP1A1CYP1A2CYP1B1ALDH1A1KMT2A
SCHEMBL27730870 0.80 CYP1A1 (0.48) CYP1A1CYP1A2CYP1B1ALDH1A1KMT2A
SCHEMBL6751051 0.79 ALDH1A1 (0.45) CYP1A1CYP1A2CYP1B1ALDH1A1KMT2A
SCHEMBL6747264 0.78 SMN1; SMN2 (0.41) CYP1A1CYP1A2CYP1B1ALDH1A1KMT2A
SCHEMBL16655970 0.76 GAA (0.58) KMT2AMAPTMEN1GAATP53
SCHEMBL6005341 0.76 GAA (0.69) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL5833241 0.76 ALDH1A1 (0.73) CYP1A1CYP1A2CYP1B1ALDH1A1KMT2A
SCHEMBL30745805 0.75 KDM4E (0.43) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL15127717 0.75 NPC1 (0.38) CYP1A1CYP1A2CYP1B1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501425-B1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyprimidines as inhibitors of cellular proliferation WARNER LAMBERT COMPANY (US) 2009-03-10 US disclosed
EP-1080092-B1 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-07-23 EP disclosed
EP-1801112-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
US-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation DOBRUSIN ELLEN MYRA (US) 2004-03-04 US disclosed
EP-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 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-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation CCNI, CCNH, CCNA1 CYP1A1 1722/4885CYP1A2 3332/4885CYP1B1 601/4885

“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.