SCHEMBL860728

SCHEMBL860728

CC(NC(=O)CC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(S(=O)(=O)N2CCOCC2)c(-c2cncnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F7 P08709 8/20 0.48
F2 P00734 6/20 0.48
UBE2N P61088 1/20 0.43
CYP2C9 P11712 1/20 0.42
NAMPT P43490 1/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
MCL1 Q07820 1/20 0.41
POLB P06746 1/20 0.41
GALR3 O60755 1/20 0.41
RAB9A P51151 1/20 0.41
F10 P00742 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL861307 0.93 NAMPT (0.50) F7F2UBE2NCYP2C9NAMPT
SCHEMBL860708 0.90 F7 (0.50) F7F2GALR3RAB9AF10
SCHEMBL861055 0.86 F7 (0.53) F7F2MAPTKMT2AGALR3
SCHEMBL860543 0.86 F7 (0.53) F7F2MAPTKMT2AGALR3
SCHEMBL860715 0.85 F7 (0.47) F7F2UBE2NMAPTKMT2A
SCHEMBL861298 0.85 F7 (0.60) F7F2MAPTKMT2AMEN1
SCHEMBL861106 0.85 F7 (0.60) F7F2MAPTKMT2AMEN1
SCHEMBL861310 0.84 F7 (0.47) F7F2UBE2NMAPTKMT2A
SCHEMBL860417 0.84 F7 (0.47) F7F2UBE2NMAPTKMT2A
SCHEMBL860541 0.83 F7 (0.61) F7F2MAPTKMT2AMEN1

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 23/4885UBE2N 2909/4885

“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.