SCHEMBL2948465

SCHEMBL2948465

N#Cc1cc(Cl)cc(Oc2c(Br)ccc(CC(=O)Nc3ccc(C(=O)NCCN4CCCC4)cc3Cl)c2F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.37
F10 P00742 1/20 0.37
CCR2 P41597 3/20 0.37
RAF1 P04049 1/20 0.37
CYP3A4 P08684 1/20 0.37
SLC2A1 P11166 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN9A Q15858 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
SCHEMBL3021936 0.93 CCR2 (0.36) MCHR1F10CCR2CYP3A4KCNH2
SCHEMBL2948537 0.93 SLC2A1 (0.43) MCHR1ALDH1A1F10CCR2CYP3A4
SCHEMBL2950613 0.92 MCHR1 (0.37) MCHR1ALDH1A1HSD17B10F10CCR2
SCHEMBL2948322 0.89 CYP3A4 (0.37) CYP3A4SLC2A1KCNH2
SCHEMBL2948319 0.89 CYP3A4 (0.37) CYP3A4SLC2A1KCNH2
SCHEMBL2943003 0.88 CYP3A4 (0.41) MCHR1CCR2CYP3A4SLC2A1
SCHEMBL2948814 0.88 SLC2A1 (0.43) MCHR1F10CCR2RAF1CYP3A4
SCHEMBL2947660 0.88 CYP3A4 (0.39) MCHR1CCR2CYP3A4SLC2A1KCNH2
SCHEMBL2942770 0.88 POLB (0.43) ALDH1A1RAF1CYP3A4SLC2A1KCNH2
SCHEMBL2942765 0.87 CYP3A4 (0.37) ALDH1A1CYP3A4SLC2A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940782-B1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-03-11 EP claimed
EP-1940782-A1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP claimed
WO-2007045572-A1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO claimed
US-7754919-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
EP-1940782-B1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-03-11 EP disclosed
US-20070088015-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 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-20070088015-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, REV1 MCHR1 3525/4885ALDH1A1 294/4885HSD17B10 951/4885

“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.