SCHEMBL2951213

SCHEMBL2951213

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
KCNH2 Q12809 6/20 0.40
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC2A1 P11166 2/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
RORC P51449 1/20 0.33
ITGA4 P13612 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL14547391 0.93 CYP3A4 (0.43) CYP3A4KCNH2CYP2C9CYP2C19SLC2A1
SCHEMBL2946687 0.92 CYP3A4 (0.46) CYP3A4KCNH2CYP2C9CYP2C19SLC2A1
SCHEMBL2941813 0.89 CYP3A4 (0.40) CYP3A4KCNH2CYP2C9CYP2C19SLC2A1
SCHEMBL3921624 0.89 RORC (0.36) CYP3A4KCNH2CYP2C9CYP2C19RORC
SCHEMBL2639076 0.87 CYP3A4 (0.42) CYP3A4
SCHEMBL2951649 0.86 CYP3A4 (0.39) CYP3A4KCNH2CYP2C9CYP2C19SLC2A1
SCHEMBL3912138 0.86 CYP3A4 (0.38) CYP3A4KCNH2CYP2C9CYP2C19SLC2A1
SCHEMBL2943283 0.86 CYP3A4 (0.38) CYP3A4KCNH2CYP2C9CYP2C19SLC2A1
SCHEMBL2948537 0.85 SLC2A1 (0.43) CYP3A4SLC2A1MEN1KMT2A
SCHEMBL2638917 0.85 CYP3A4 (0.45) CYP3A4KCNH2CYP2C9CYP2C19SLC2A1

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 8 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
EP-1940782-A1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP disclosed
WO-2007045572-A1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO 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 4150/4885CYP2C9 1726/4885

“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.