SCHEMBL841828

SCHEMBL841828

CC(N)c1ccc(OCc2ccncc2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.46
CYP3A4 P08684 2/20 0.46
CTSS P25774 1/20 0.45
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
AR P10275 1/20 0.40
S1PR1 P21453 3/20 0.39
GSK3A P49840 1/20 0.37
PRKG2 Q13237 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL2146375 0.77 CYP3A4 (0.51) AAK1CYP3A4CTSSRXRARXRB
SCHEMBL860439 0.76 AR (0.40) AAK1CYP3A4ARS1PR1
SCHEMBL24781190 0.76 MRGPRX4 (0.47) CTSSRXRARXRBRXRGAR
SCHEMBL2692879 0.75 XDH (0.38) AAK1CYP3A4S1PR1GSK3APRKG2
SCHEMBL16763296 0.74 NTRK1 (0.51) MRGPRX4
SCHEMBL842071 0.74 RXRA (0.55) CTSSRXRARXRBRXRGAR
SCHEMBL17024334 0.72 MRGPRX4 (0.48) CTSSRXRARXRBRXRGS1PR1
SCHEMBL27859119 0.71 MRGPRX4 (0.51) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL27859120 0.71 MRGPRX4 (0.46) CTSSRXRARXRBRXRGAR
SCHEMBL2146754 0.71 CTSS (0.44) AAK1CYP3A4CTSSRXRARXRB

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 10 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-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
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
EP-2176223-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 WO 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 AAK1 2402/4885CYP3A4 983/4885CTSS 557/4885

“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.