SCHEMBL4586501

SCHEMBL4586501

Nc1cc(C(=O)NCC2CC(=O)N(c3ccc(-n4ccccc4=O)cc3)C2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
PIK3CD O00329 1/20 0.38
F10 P00742 12/20 0.38
PREP P48147 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
PAK1 Q13153 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGB5 P18084 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 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
SCHEMBL4588111 0.90 MAPK14 (0.42) F10PAK1ACACBACACA
SCHEMBL4586894 0.87 F10 (0.43) KLKB1F10EGLN1
SCHEMBL4587434 0.85 CTSL (0.46) F10
SCHEMBL5642149 0.85 F10 (0.44) KLKB1F10PAK1
SCHEMBL5639066 0.85 PLAU (0.47) KLKB1F10EGLN1PAK1
SCHEMBL4587149 0.84 F10 (0.44) F10
SCHEMBL5641384 0.84 EGLN1 (0.42) KLKB1F10EGLN1ACACA
SCHEMBL4586927 0.84 F10 (0.48) F10
SCHEMBL5640219 0.83 F10 (0.41) KLKB1F10PAK1
SCHEMBL4594044 0.83 F10 (0.46) KLKB1F10EGLN1

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-1667647-A4 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
EP-1667647-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 US disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 KLKB1 238/4885SMYD3 3748/4885PIK3CD 3295/4885

“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.