SCHEMBL2942764

SCHEMBL2942764

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC2A1 P11166 3/20 0.35
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
RORC P51449 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
PTGDR Q13258 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
NOD2 Q9HC29 1/20 0.32
ANO1 Q5XXA6 1/20 0.31

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
SCHEMBL2950561 0.93 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19SLC2A1TAS1R3
SCHEMBL2950211 0.93 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19SLC2A1TAS1R3
SCHEMBL2947697 0.91 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19SLC2A1TAS1R3
SCHEMBL2950962 0.89 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19SLC2A1TAS1R3
SCHEMBL2950967 0.89 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19SLC2A1TAS1R3
SCHEMBL2948814 0.89 SLC2A1 (0.43) CYP3A4SLC2A1KCNH2
SCHEMBL2946687 0.88 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19SLC2A1TAS1R3
SCHEMBL2945635 0.88 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19SLC2A1TAS1R3
SCHEMBL2951259 0.88 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19RORCSMN1; SMN2
SCHEMBL2638917 0.88 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19SLC2A1TAS1R3

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 889/4885CYP2C9 1726/4885CYP2C19 1432/4885

“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.