SCHEMBL5639920

SCHEMBL5639920

Cc1ccc(C(=O)NCC2CC(=O)N(c3ccc(-n4ccnc4CN(C)C)cc3)C2)s1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 17/20 0.49
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ ITGA5 P08648 1/20 0.37
▸ ITGB5 P18084 1/20 0.37

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
SCHEMBL5640242 0.91 F10 (0.60) F10
SCHEMBL5638157 0.88 F10 (0.55) F10
SCHEMBL5638949 0.87 F10 (0.45) F10ALDH1A1
SCHEMBL5642220 0.85 F10 (0.41) F10ITGB3ITGB1ITGAVITGA2B
SCHEMBL5638362 0.85 F10 (0.41) F10ITGB3ITGB1ITGAVITGA2B
SCHEMBL4594170 0.85 F10 (0.41) F10ITGB3ITGB1ITGAVITGA2B
SCHEMBL5642215 0.85 F10 (0.42) F10
SCHEMBL5643102 0.84 F10 (0.46) F10ALDH1A1ITGB3ITGB1ITGAV
SCHEMBL5642436 0.83 F10 (0.53) F10
SCHEMBL5640983 0.83 F10 (0.55) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 — — US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 — — 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 F10 18/4885CYP1A2 1239/4885CYP3A4 881/4885

“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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