SCHEMBL2950902

SCHEMBL2950902

CC1(NC(=O)c2ccc(NC(=O)Cc3ccc(Br)c(Oc4cc(Cl)cc(C#N)c4)c3F)c(Cl)c2)CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.37
ANO1 Q5XXA6 7/20 0.34
KCNH2 Q12809 2/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
EPAS1 Q99814 2/20 0.31
VEGFA P15692 1/20 0.31
ARNT P27540 1/20 0.31
RORC P51449 1/20 0.31
DGAT2 Q96PD7 2/20 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
SCHEMBL2945296 0.92 CYP3A4 (0.37) CYP3A4ANO1KCNH2DGAT2
SCHEMBL2950737 0.90 DGAT2 (0.41) DGAT2
SCHEMBL3913666 0.88 KCNH2 (0.35) CYP3A4ANO1KCNH2CYP2C9CYP2C19
SCHEMBL2942807 0.88 KCNH2 (0.35) CYP3A4KCNH2RORC
SCHEMBL4602736 0.85 CYP3A4 (0.35) CYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL2949608 0.85 CYP3A4 (0.36) CYP3A4ANO1KCNH2CYP2C9CYP2C19
SCHEMBL2944457 0.83 CYP3A4 (0.36) CYP3A4KCNH2CYP2C9CYP2C19RORC
SCHEMBL2950724 0.83 CYP3A4 (0.38) CYP3A4ANO1KCNH2CYP2C9CYP2C19
SCHEMBL2944695 0.83 CYP3A4 (0.38) CYP3A4ANO1KCNH2CYP2C9CYP2C19
SCHEMBL2951433 0.83 CYP3A4 (0.36) CYP3A4KCNH2CYP2C9CYP2C19RORC

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 889/4885ANO1 3734/4885KCNH2 4150/4885

“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.