SCHEMBL9935119

SCHEMBL9935119

CO/N=C(/CNC(=O)c1ccc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)n1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.41
CNR2 P34972 4/20 0.41
CNR1 P21554 2/20 0.41
EGLN1 Q9GZT9 2/20 0.39
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
UGCG Q16739 1/20 0.35

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
SCHEMBL16857975 0.85 MAPT (0.36) EGLN1MEN1MAPTKMT2AMRGPRX4
SCHEMBL411012 0.81 MRGPRX4 (0.52) CTSACNR2CNR1MEN1MAPT
SCHEMBL9978159 0.78 CNR1 (0.42) CTSACNR2CNR1MEN1MAPT
SCHEMBL410512 0.77 MRGPRX4 (0.49) CTSACNR2CNR1MRGPRX4
SCHEMBL31267243 0.75 CNR1 (0.45) CTSACNR2CNR1MEN1MAPT
SCHEMBL21634885 0.75 CNR1 (0.45) CTSACNR2CNR1MEN1MAPT
SCHEMBL438387 0.75 MAPT (0.45) CTSACNR2CNR1MAPTCYP1A2
SCHEMBL412268 0.74 RHOC (0.41) CTSACNR2CNR1MAPT
SCHEMBL9936769 0.74 CNR1 (0.49) CTSACNR2CNR1
SCHEMBL31267275 0.73 NPC1 (0.56) CTSAMAPTKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651895-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP claimed
WO-2012080144-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO claimed
EP-2651895-B1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2015-07-01 EP disclosed
US-8669254-B2 Pyridine, pyridazine, pyrimidine or pyrazine carboxamides as HDL-cholesterol raising agents HOFFMAN-LA ROCHE INC. (US) 2014-03-11 US disclosed
EP-2651895-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP disclosed
US-20120157476-A1 OXIME COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
WO-2012080144-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed
WO-2012080144-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 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-20120157476-A1 OXIME COMPOUNDS APOB, APOL1, PON1 CTSA 2455/4885CNR2 1642/4885CNR1 1065/4885

“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.