SCHEMBL16984623

SCHEMBL16984623

COC(=O)c1cc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)cc1Oc1ccc(/C=C/C#N)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 1/20 0.43
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ ESRRA P11474 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ MAPT P10636 6/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ FGFR1 P11362 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
SCHEMBL16984626 0.84 MERTK (0.43) MERTKCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16984559 0.84 MERTK (0.44) MERTKCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16984561 0.79 MERTK (0.43) MERTKCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16984625 0.78 MERTK (0.43) MERTKCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16969353 0.77 MERTK (0.44) MERTKCYP2C9CYP2C19MAPTAKR1C3
SCHEMBL16984557 0.76 MERTK (0.44) MERTKCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25250478 0.70 MAPT (0.59) MERTKMAPTAKR1C3AKR1C2HTT
SCHEMBL16969526 0.69 MERTK (0.45) MERTKCYP2C9CYP2C19MAPTAKR1C3
SCHEMBL2898995 0.69 MERTK (0.59) MERTKCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2902627 0.69 MERTK (0.58) MERTKMAPTHTTALDH1A1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340492-B2 Meta-Diarylaniline or meta-diarylpyridinamine compound, preparation method and medical uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-05-17 — — US disclosed
US-20150218088-A1 META-DIARYLANILINE OR META-DIARYLPYRIDINAMINE COMPOUND, PREPARATION METHOD AND MEDICAL USES THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-08-06 — — 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-20150218088-A1 META-DIARYLANILINE OR META-DIARYLPYRIDINAMINE COMPOUND, PREPARATION METHOD AND MEDICAL USES THEREOF QDPR, COMT, CYP2D6 MERTK 3962/4885CYP3A4 14/4885CYP2D6 3/4885

“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.

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