SCHEMBL4587696

SCHEMBL4587696

CN(C(=O)CN1CCCC1)c1ccc(N2CC(CNC(=O)c3cccc(C(=N)N)c3)CC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.42
PRSS1 P07477 13/20 0.42
PRSS2 P07478 5/20 0.42
PRSS3 P35030 5/20 0.42
HPN P05981 2/20 0.42
HGFAC Q04756 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
TPSAB1 Q15661 1/20 0.42
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
F2 P00734 1/20 0.38
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 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
SCHEMBL5641371 0.94 L3MBTL1 (0.38) F10PRSS1PRSS2PRSS3HPN
SCHEMBL4588315 0.89 TPSAB1 (0.44) F10PRSS1PRSS2PRSS3HPN
SCHEMBL4586933 0.89 HDAC3 (0.37) F10PRSS1PRSS2PRSS3HPN
SCHEMBL4586428 0.89 KCNH2 (0.47) F10MEN1KMT2AKCNH2CACNA1I
SCHEMBL5642367 0.87 HDAC1 (0.39) F10PRSS1PRSS2PRSS3HPN
SCHEMBL5642348 0.85 BCHE (0.49) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL4587468 0.85 BCHE (0.40) MEN1KMT2A
SCHEMBL4586456 0.84 BCHE (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5642492 0.83 TP53 (0.45) F10
SCHEMBL5640706 0.83 LMNA (0.50) F10PRSS1PRSS2PRSS3HPN

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 F10 18/4885PRSS1 9/4885PRSS2 24/4885

“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.