SCHEMBL2949561

SCHEMBL2949561

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.38
SMYD2 Q9NRG4 1/20 0.36
POLB P06746 1/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC2A1 P11166 2/20 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
SCHEMBL2950613 0.92 MCHR1 (0.37) MCHR1
SCHEMBL2948537 0.91 SLC2A1 (0.43) MCHR1SMYD2SLC2A1
SCHEMBL2942583 0.88 ALDH1A1 (0.33)
SCHEMBL2950621 0.87 NAMPT (0.34)
SCHEMBL2950624 0.87 NAMPT (0.34)
SCHEMBL2942770 0.86 POLB (0.43) POLBSLC2A1
SCHEMBL2943003 0.86 CYP3A4 (0.41) MCHR1POLBSLC2A1
SCHEMBL3921624 0.85 RORC (0.36)
SCHEMBL2947660 0.85 CYP3A4 (0.39) MCHR1POLBSLC2A1
SCHEMBL2949420 0.85 CYP3A4 (0.39) MCHR1POLBSLC2A1

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 3525/4885SMYD2 2005/4885POLB 174/4885

“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.