SCHEMBL860262

SCHEMBL860262

CC(NC(=O)CC(=O)Nc1ccc(/C(N)=N\O)cc1)c1ccc(Oc2cccc(CO)c2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 14/20 0.41
F2 P00734 9/20 0.41
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
F10 P00742 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 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
SCHEMBL860435 0.90 F7 (0.51) F7F2F10
SCHEMBL840788 0.87 F7 (0.42) F7F2F10
SCHEMBL840797 0.86 FFAR1 (0.40) F7F2GAAMAPTPOLB
Trifluoroacetic Acid SCHEMBL841565 0.85 F7 (0.48) F7F2F10
SCHEMBL860642 0.82 F7 (0.38) F7F2HDAC1HDAC2F10
SCHEMBL860993 0.82 F7 (0.39) F7F2HDAC1HDAC2F10
SCHEMBL14647018 0.79 F7 (0.39) F7F2NPC1RAB9A
SCHEMBL860820 0.76 F7 (0.49) F7F2F10
SCHEMBL860757 0.72 F7 (0.47) F7F2F10
SCHEMBL860307 0.72 F7 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed
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
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI F7 1/4885F2 23/4885HDAC1 1242/4885

“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.