SCHEMBL4586933

SCHEMBL4586933

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.37
HDAC4 P56524 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC7 Q8WUI4 4/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC10 Q969S8 4/20 0.37
HDAC11 Q96DB2 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC9 Q9UKV0 4/20 0.37
HDAC5 Q9UQL6 4/20 0.37
F10 P00742 1/20 0.36
HPN P05981 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
HGFAC Q04756 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
BCHE P06276 1/20 0.36
ENPP2 Q13822 1/20 0.36

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
SCHEMBL5642367 0.92 HDAC1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5641371 0.90 L3MBTL1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4587696 0.89 F10 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4586428 0.89 KCNH2 (0.47) F10LMNAMEN1KMT2AKCNH2
SCHEMBL5642348 0.85 BCHE (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4587468 0.85 BCHE (0.40) BCHELMNAHRH3MEN1KMT2A
SCHEMBL4586456 0.84 BCHE (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5642492 0.83 TP53 (0.45) F10ENPP2LMNAALDH1A1MAPT
SCHEMBL4587789 0.83 BCHE (0.37) BCHELMNAALDH1A1MAPT
SCHEMBL5641900 0.83 PLAU (0.38) BCHEENPP2LMNAMEN1KMT2A

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 HDAC3 502/4885HDAC4 992/4885HDAC1 108/4885

“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.