SCHEMBL861307

SCHEMBL861307

CC(NC(=O)CC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.50
CYP2C9 P11712 1/20 0.50
F7 P08709 7/20 0.47
F2 P00734 6/20 0.47
UBE2N P61088 1/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
F10 P00742 2/20 0.43
F3 P13726 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.41
GALR3 O60755 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL860728 0.93 F7 (0.48) NAMPTCYP2C9F7F2UBE2N
SCHEMBL860708 0.92 F7 (0.50) F7F2GAAF10GALR3
SCHEMBL860715 0.85 F7 (0.47) F7F2UBE2NLMNAHTT
SCHEMBL860543 0.85 F7 (0.53) F7F2GAAF10KMT2A
SCHEMBL861055 0.85 F7 (0.53) F7F2GAAF10KMT2A
SCHEMBL861106 0.84 F7 (0.60) F7F2LMNAF10MEN1
SCHEMBL861298 0.84 F7 (0.60) F7F2LMNAF10MEN1
SCHEMBL860541 0.83 F7 (0.61) F7F2GAAHTTF10
SCHEMBL860318 0.83 F7 (0.61) F7F2GAAHTTF10
SCHEMBL860417 0.83 F7 (0.47) F7F2UBE2NLMNAGAA

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 NAMPT 2802/4885CYP2C9 122/4885F7 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.