SCHEMBL860461

SCHEMBL860461

CC(=O)N1CCC(Oc2ccc(C(C)NC(=O)CC(=O)Nc3ccc(C(=N)N)cc3)cc2-c2ccc(Cl)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.43
F10 P00742 4/20 0.43
F7 P08709 14/20 0.42
RAB9A P51151 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 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
SCHEMBL8102419 0.92 F2 (0.43) F2F10F7RAB9A
SCHEMBL860738 0.90 F7 (0.41) F2F10F7
SCHEMBL860484 0.89 F7 (0.43) F2F10F7
SCHEMBL860705 0.89 F7 (0.49) F2F10F7
SCHEMBL861012 0.89 F7 (0.49) F2F10F7
SCHEMBL841873 0.89 F7 (0.43) F2F10F7
SCHEMBL860983 0.88 F7 (0.39) F2F10F7
SCHEMBL861392 0.81 F7 (0.42) F2F10F7
SCHEMBL861305 0.81 F7 (0.42) F2F10F7
SCHEMBL861382 0.77 F7 (0.46) F2F10F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI F2 23/4885F10 12/4885F7 1/4885

“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.