SCHEMBL16984559

SCHEMBL16984559

Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 1/20 0.44
▸ KCNH2 Q12809 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ MAPT P10636 2/20 0.36
▸ AKR1C3 P42330 2/20 0.36
▸ AKR1C2 P52895 2/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ GFER P55789 1/20 0.36
▸ CTSV O60911 2/20 0.34
▸ CTSL P07711 2/20 0.34
▸ ALDH3A1 P30838 1/20 0.34
▸ FBP1 P09467 1/20 0.34
▸ PYGL P06737 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL16984561 0.85 MERTK (0.43) MERTKKCNH2CYP2C9CYP2C19CYP3A4
SCHEMBL16984557 0.85 MERTK (0.44) MERTKKCNH2CYP2C9CYP2C19CYP3A4
SCHEMBL16984623 0.84 MERTK (0.43) MERTKKCNH2CYP2C9CYP2C19CYP3A4
SCHEMBL16969526 0.84 MERTK (0.45) MERTKCYP2C9CYP2C19MAPTAKR1C3
SCHEMBL16984625 0.83 MERTK (0.43) MERTKKCNH2CYP2C9CYP2C19CYP3A4
SCHEMBL2898995 0.78 MERTK (0.59) MERTKKCNH2CYP2C9CYP2C19CYP3A4
SCHEMBL2902504 0.77 MERTK (0.56) MERTKKCNH2CYP2C9CYP2C19CYP3A4
SCHEMBL2896050 0.77 MERTK (0.58) MERTKKCNH2CYP2C9CYP2C19CYP3A4
SCHEMBL16984626 0.77 MERTK (0.43) MERTKKCNH2CYP2C9CYP2C19CYP3A4
SCHEMBL16969353 0.76 MERTK (0.44) MERTKCYP2C9CYP2C19MAPTAKR1C3

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 3962/4885KCNH2 1217/4885CYP2C9 15/4885

“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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