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SCHEMBL2950211

SCHEMBL2950211

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.42
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ S1PR1 P21453 3/20 0.34
▸ S1PR3 Q99500 3/20 0.34
▸ TOP2A P11388 2/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ ANO1 Q5XXA6 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ BRD4 O60885 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
SCHEMBL2950561 0.93 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL2942764 0.93 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL2947697 0.91 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL2638917 0.89 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL2950967 0.89 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19S1PR1S1PR3
SCHEMBL2950962 0.89 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19S1PR1S1PR3
SCHEMBL2948814 0.89 SLC2A1 (0.43) CYP3A4SLC2A1MEN1KMT2A
SCHEMBL2946687 0.88 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL2945635 0.88 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19S1PR1S1PR3
SCHEMBL2951259 0.88 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19RORCCYP1A2

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 889/4885CYP2C9 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.