SCHEMBL2948537

SCHEMBL2948537

Cc1cc(C(=O)NCCN2CCCC2)ccc1NC(=O)Cc1ccc(Br)c(Oc2cc(Cl)cc(C#N)c2)c1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.43
CYP3A4 P08684 1/20 0.40
MCHR1 Q99705 8/20 0.39
CCR2 P41597 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMYD2 Q9NRG4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
F10 P00742 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
SCHEMBL2943003 0.95 CYP3A4 (0.41) SLC2A1CYP3A4MCHR1CCR2
SCHEMBL2942770 0.94 POLB (0.43) SLC2A1CYP3A4MEN1KMT2AALDH1A1
SCHEMBL2947660 0.94 CYP3A4 (0.39) SLC2A1CYP3A4MCHR1CCR2
SCHEMBL2949420 0.94 CYP3A4 (0.39) SLC2A1CYP3A4MCHR1CCR2
SCHEMBL2948814 0.93 SLC2A1 (0.43) SLC2A1CYP3A4MCHR1CCR2MEN1
SCHEMBL2948465 0.93 MCHR1 (0.39) SLC2A1CYP3A4MCHR1CCR2ALDH1A1
SCHEMBL2949561 0.91 MCHR1 (0.38) SLC2A1MCHR1SMYD2
SCHEMBL4638309 0.88 CYP3A4 (0.38) SLC2A1CYP3A4
SCHEMBL3021936 0.87 CCR2 (0.36) CYP3A4MCHR1CCR2F10
SCHEMBL2950613 0.85 MCHR1 (0.37) MCHR1CCR2ALDH1A1F10

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 SLC2A1 3007/4885CYP3A4 889/4885MCHR1 3525/4885

“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.