SCHEMBL3369459

SCHEMBL3369459

COC(=O)c1ccc2[nH]c(C(=O)NC3CCN(C4CC4)CC3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.48
▸ TNKS O95271 1/20 0.44
▸ OPRL1 P41146 1/20 0.43
▸ FGFR1 P11362 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ SMYD3 Q9H7B4 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL6016999 0.89 PARP1 (0.50) PARP1TNKSSMYD3HRH3USP30
SCHEMBL3368040 0.87 PARP1 (0.55) PARP1HRH3
SCHEMBL3369817 0.83 PARP1 (0.41) PARP1TNKSFGFR1FLT1HRH3
SCHEMBL6016930 0.83 PARP1 (0.41) PARP1TNKSFGFR1FLT1HRH3
SCHEMBL3370923 0.78 PARP1 (0.71) PARP1
SCHEMBL6017012 0.78 PARP1 (0.71) PARP1
SCHEMBL3368858 0.76 PARP1 (0.53) PARP1
SCHEMBL31154217 0.74 HRH4 (0.52) PARP1SMYD3USP30
SCHEMBL15625894 0.73 KDM4E (0.52) KDM4EALDH1A1HPGD
SCHEMBL15625900 0.73 PIN1 (0.50) KDM4EALDH1A1HPGD

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 371/4885TNKS 1024/4885OPRL1 4129/4885

“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.

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