SCHEMBL2942765

SCHEMBL2942765

CC(C)(CN1CCCC1)NC(=O)c1ccc(NC(=O)Cc2ccc(Br)c(Oc3cc(Cl)cc(C#N)c3)c2F)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
SLC2A1 P11166 3/20 0.34
ANO1 Q5XXA6 3/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.32
KCNH2 Q12809 2/20 0.32
HDAC4 P56524 1/20 0.32
DGAT2 Q96PD7 1/20 0.31
NAMPT P43490 1/20 0.31
DDR1 Q08345 1/20 0.31
PDK1 Q15118 2/20 0.30
PDK2 Q15119 2/20 0.30
PDK3 Q15120 2/20 0.30
PDK4 Q16654 2/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2942854 0.89 CYP3A4 (0.38) CYP3A4ANO1KCNH2PDK1PDK2
SCHEMBL2948465 0.87 MCHR1 (0.39) CYP3A4SLC2A1ALDH1A1KCNH2
SCHEMBL2950724 0.87 CYP3A4 (0.38) CYP3A4ANO1KCNH2PDK1PDK2
SCHEMBL2949608 0.84 CYP3A4 (0.36) CYP3A4ANO1KCNH2DDR1PDK1
SCHEMBL2945296 0.82 CYP3A4 (0.37) CYP3A4ANO1KCNH2DGAT2
SCHEMBL2948537 0.82 SLC2A1 (0.43) CYP3A4SLC2A1ALDH1A1
SCHEMBL2949641 0.82 UTS2R (0.41) CYP3A4
SCHEMBL2944695 0.81 CYP3A4 (0.38) CYP3A4ANO1ALDH1A1KDM4EHPGD
SCHEMBL2951433 0.81 CYP3A4 (0.36) CYP3A4ALDH1A1KDM4EHPGDKCNH2
SCHEMBL3021936 0.81 CCR2 (0.36) CYP3A4KCNH2NAMPT

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 889/4885SLC2A1 3007/4885ANO1 3734/4885

“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.