SCHEMBL3369817

SCHEMBL3369817

COC(=O)c1cc(C)c2[nH]c(C(=O)NC3CCN(C4CC4)CC3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ ATAD2 Q6PL18 1/20 0.40
▸ RIPK2 O43353 1/20 0.37
▸ SIGMAR1 Q99720 3/20 0.36
▸ EGLN1 Q9GZT9 2/20 0.36
▸ PDE7A Q13946 2/20 0.36
▸ TNKS O95271 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ IGF1R P08069 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ ACKR3 P25106 1/20 0.35

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
SCHEMBL6016930 1.00 PARP1 (0.41) PARP1BRD4ATAD2RIPK2SIGMAR1
SCHEMBL3369459 0.83 PARP1 (0.48) PARP1SIGMAR1EGLN1TNKSFGFR1
SCHEMBL6016999 0.73 PARP1 (0.50) PARP1TNKSHRH3
SCHEMBL3368858 0.71 PARP1 (0.53) PARP1
SCHEMBL13906484 0.71 NPY5R (0.43) PARP1
SCHEMBL6017012 0.71 PARP1 (0.71) PARP1
SCHEMBL3370923 0.71 PARP1 (0.71) PARP1
SCHEMBL3368040 0.70 PARP1 (0.55) PARP1HRH3
SCHEMBL6170453 0.70 KDM4E (0.45) —
SCHEMBL1918976 0.67 MAPT (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 — — EP disclosed
US-7741341-B2 Benzimidazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-22 — — US disclosed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 — — EP disclosed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 — — US disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 — — 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-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors F12, F11, F5 PARP1 371/4885BRD4 564/4885ATAD2 1553/4885

“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.

Send feedback