SCHEMBL861055

SCHEMBL861055

CC(NC(=O)CC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(S(=O)(=O)N2CCOCC2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F7 P08709 8/20 0.53
F2 P00734 6/20 0.53
GALR3 O60755 1/20 0.49
RAB9A P51151 1/20 0.49
GSTO1 P78417 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 1/20 0.44
F10 P00742 1/20 0.44
CNR2 P34972 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL860543 1.00 F7 (0.53) F7F2GALR3RAB9AGSTO1
SCHEMBL861298 0.91 F7 (0.60) F7F2GALR3RAB9AALDH1A1
SCHEMBL861106 0.91 F7 (0.60) F7F2GALR3RAB9AALDH1A1
SCHEMBL860541 0.89 F7 (0.61) F7F2GALR3RAB9AGSTO1
SCHEMBL860318 0.89 F7 (0.61) F7F2GALR3RAB9AGSTO1
SCHEMBL861000 0.88 F7 (0.51) F7F2F10
SCHEMBL860708 0.88 F7 (0.50) F7F2GALR3RAB9ASMN1; SMN2
SCHEMBL861310 0.88 F7 (0.47) F7F2GALR3RAB9AGSTO1
SCHEMBL860417 0.88 F7 (0.47) F7F2GALR3RAB9AGSTO1
SCHEMBL860275 0.87 F2 (0.60) F7F2SMN1; SMN2ALDH1A1MAPT

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 23/4885GALR3 3984/4885

“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.