SCHEMBL2951649

SCHEMBL2951649

Cc1cc(C(=O)NC2CCNC2)ccc1NC(=O)Cc1ccc(Br)c(Oc2cc(Cl)cc(C#N)c2)c1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
KCNH2 Q12809 3/20 0.34
TOP2A P11388 4/20 0.34
UTS2R Q9UKP6 3/20 0.33
SLC2A1 P11166 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
MC4R P32245 1/20 0.32
MC5R P33032 1/20 0.32
MC3R P41968 1/20 0.32
MC1R Q01726 1/20 0.32
KDM1A O60341 2/20 0.32

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
SCHEMBL2951213 0.86 CYP3A4 (0.43) CYP3A4KCNH2SLC2A1CYP2C9CYP2C19
SCHEMBL14547391 0.84 CYP3A4 (0.43) CYP3A4KCNH2SLC2A1CYP2C9CYP2C19
SCHEMBL2943003 0.84 CYP3A4 (0.41) CYP3A4SLC2A1
SCHEMBL2941813 0.84 CYP3A4 (0.40) CYP3A4KCNH2SLC2A1CYP2C9CYP2C19
SCHEMBL2947660 0.84 CYP3A4 (0.39) CYP3A4KCNH2SLC2A1
SCHEMBL2948537 0.83 SLC2A1 (0.43) CYP3A4SLC2A1
SCHEMBL2949641 0.82 UTS2R (0.41) CYP3A4UTS2R
SCHEMBL3913457 0.81 DGAT2 (0.39) CYP3A4
SCHEMBL3912138 0.81 CYP3A4 (0.38) CYP3A4KCNH2SLC2A1CYP2C9CYP2C19
SCHEMBL2943283 0.81 CYP3A4 (0.38) CYP3A4KCNH2SLC2A1CYP2C9CYP2C19

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 CYP3A4 889/4885KCNH2 4150/4885TOP2A 745/4885

“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.