SCHEMBL16969474

SCHEMBL16969474

Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1CCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 2/20 0.53
▸ MAPT P10636 6/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ ABCC3 O15438 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ ABCC1 P33527 1/20 0.40

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
SCHEMBL16969534 0.90 MERTK (0.50) MERTKMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL2898995 0.88 MERTK (0.59) MERTKMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL16969470 0.85 MERTK (0.48) MERTKMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL2896050 0.83 MERTK (0.58) MERTKMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL16969513 0.81 MERTK (0.45) MERTKMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL2902504 0.81 MERTK (0.56) MERTKMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL2896915 0.81 MERTK (0.47) MERTKMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL16984566 0.81 CYP2C9 (0.47) MERTKMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL2902627 0.81 MERTK (0.58) MERTKMAPTKMT2AMEN1POLB
SCHEMBL2902186 0.79 MERTK (0.53) MERTKMAPTCYP3A4CYP2D6CYP2C9

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 3962/4885MAPT 901/4885CYP3A4 14/4885

“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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