SCHEMBL861382

SCHEMBL861382

CC(NC(=O)CC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(S(=O)(=O)N2CCCC2)c(-c2ccc(Cl)s2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F7 P08709 13/20 0.46
MAPT P10636 4/20 0.42
ATAD2 Q6PL18 1/20 0.41
TP53 P04637 1/20 0.41
F2 P00734 8/20 0.41
F10 P00742 1/20 0.40
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MITF O75030 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL860454 1.00 F7 (0.46) F7MAPTATAD2TP53F2
SCHEMBL861310 0.93 F7 (0.47) F7MAPTF2CNR2ALDH1A1
SCHEMBL860417 0.93 F7 (0.47) F7MAPTF2CNR2ALDH1A1
SCHEMBL861305 0.91 F7 (0.42) F7F2F10
SCHEMBL861392 0.91 F7 (0.42) F7F2F10
Trifluoroacetic Acid SCHEMBL840877 0.89 F7 (0.46) F7MAPTTP53F2CNR2
SCHEMBL860930 0.81 F7 (0.54) F7MAPTATAD2TP53F2
SCHEMBL860971 0.81 F7 (0.54) F7MAPTATAD2TP53F2
SCHEMBL861204 0.80 F7 (0.53) F7MAPTATAD2TP53F2
SCHEMBL861055 0.80 F7 (0.53) F7MAPTF2F10CNR2

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 1/4885MAPT 4829/4885ATAD2 2521/4885

“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.