SCHEMBL860858

SCHEMBL860858

CC(NC(=O)CC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(OCCN2CCOCC2)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F7 P08709 11/20 0.58
F2 P00734 8/20 0.58
HTR2A P28223 3/20 0.46
HTR2C P28335 2/20 0.46
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL861200 0.84 F7 (0.50) F7F2F10
SCHEMBL860775 0.84 F7 (0.53) F7F2F10
SCHEMBL860984 0.83 F7 (0.49) F7F2F10
SCHEMBL8108603 0.83 F7 (0.49) F7F2F10
SCHEMBL860516 0.82 F7 (0.48) F7F2F10
SCHEMBL860310 0.82 F7 (0.55) F7F2F10
SCHEMBL861114 0.82 F7 (0.49) F7F2F10
SCHEMBL860274 0.82 F7 (0.49) F7F2F10
SCHEMBL860386 0.81 F7 (0.52) F7F2F10
SCHEMBL860248 0.81 F7 (0.62) F7F2F10

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 F7 1/4885F2 23/4885HTR2A 4571/4885

“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.