SCHEMBL5639530

SCHEMBL5639530

CN(C)Cc1nccn1-c1ccc(N2CC(CNC(=O)c3ccc(Cl)o3)CC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 15/20 0.43
▸ ENPP2 Q13822 3/20 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
▸ F2 P00734 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 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
SCHEMBL5640680 0.86 F10 (0.50) F10ENPP2LMNATP53MAPT
SCHEMBL5641806 0.84 TP53 (0.40) F10ITGB3ITGB1ITGAVITGA2B
SCHEMBL5643102 0.84 F10 (0.46) F10ITGB3ITGB1ITGAVITGA2B
SCHEMBL4594487 0.84 F10 (0.45) F10LMNA
SCHEMBL5640242 0.84 F10 (0.60) F10F2
SCHEMBL5643197 0.83 F10 (0.42) F10ITGB3ITGB1ITGAVITGA2B
SCHEMBL5640581 0.82 F10 (0.50) F10ENPP2LMNATP53MAPT
SCHEMBL5638799 0.82 F10 (0.39) F10ITGB3ITGB1ITGAVITGA2B
SCHEMBL5639537 0.82 MAPT (0.45) F10LMNATP53MAPT
SCHEMBL5639920 0.82 F10 (0.49) F10ITGB3ITGB1ITGAVITGA2B

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 18/4885ENPP2 1882/4885ITGB3 2655/4885

“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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