SCHEMBL4607219

SCHEMBL4607219

COC(=O)c1[nH]c(-c2ccccc2)nc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.56
FEN1 P39748 1/20 0.56
ERCC4 Q92889 1/20 0.56
PIN1 Q13526 4/20 0.51
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 1/20 0.51
CASP1 P29466 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TNKS O95271 1/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL15442034 0.85 HSD17B10 (0.59) PIN1MAPK1CYP1A2CASP1CYP2C19
SCHEMBL13522593 0.84 ERCC1 (0.68) ERCC1FEN1ERCC4PIN1MAPK1
SCHEMBL4604205 0.84 ERCC1 (0.56) ERCC1FEN1ERCC4PIN1MAPK1
SCHEMBL28582957 0.75 ERCC1 (0.68) ERCC1FEN1ERCC4PIN1MAPK1
SCHEMBL21157461 0.75 DHODH (0.57) PIN1MAPK1CYP1A2CASP1CYP2C19
SCHEMBL547135 0.74 PIN1 (0.56) ERCC1FEN1ERCC4PIN1MAPK1
SCHEMBL829287 0.74 PIN1 (0.46) PIN1MAPK1CYP1A2CASP1CYP2C19
SCHEMBL829583 0.73 PIN1 (0.45) PIN1MAPK1CYP1A2CASP1CYP2C19
SCHEMBL28916010 0.73 ERCC1 (0.64) ERCC1FEN1ERCC4PIN1MAPK1
SCHEMBL28576641 0.73 ERCC1 (0.60) ERCC1FEN1ERCC4PIN1CYP1A2

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
EP-1569927-B1 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-07-16 EP disclosed
US-7358268-B2 Imidazole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-15 US disclosed
EP-1569927-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP disclosed
EP-1479674-A1 Imidiazole-derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP disclosed
US-20040171604-A1 Imidazole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-02 US disclosed
WO-2004050636-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 WO disclosed
EP-1426364-A1 Imidazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-06-09 EP 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-20040171604-A1 Imidazole derivatives as factor Xa inhibitors TFPI, F11, TFPI2 ERCC1 1592/4885FEN1 641/4885ERCC4 348/4885

“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.