SCHEMBL16969423

SCHEMBL16969423

C=C(C#N)c1cc(C)c(Oc2cc(Nc3ccc(C#N)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 2/20 0.51
▸ MAPT P10636 6/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ABCC3 O15438 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL16969526 0.90 MERTK (0.45) MERTKMAPTKMT2AMEN1LMNA
SCHEMBL16969513 0.90 MERTK (0.45) MERTKMAPTKMT2AMEN1LMNA
SCHEMBL16969353 0.89 MERTK (0.44) MERTKMAPTKMT2AMEN1LMNA
SCHEMBL16969469 0.89 MERTK (0.44) MERTKMAPTKMT2AMEN1LMNA
SCHEMBL16969480 0.89 MERTK (0.43) MERTKMAPTKMT2AMEN1LMNA
SCHEMBL2898995 0.88 MERTK (0.59) MERTKMAPTKMT2AMEN1LMNA
SCHEMBL2896050 0.87 MERTK (0.58) MERTKMAPTKMT2AMEN1LMNA
SCHEMBL16969522 0.86 MERTK (0.41) MERTKMAPTKMT2AMEN1LMNA
SCHEMBL2902504 0.85 MERTK (0.56) MERTKMAPTKMT2AMEN1POLB
SCHEMBL16969376 0.85 MERTK (0.40) MERTKMAPTKMT2AMEN1LMNA

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 901/4885KMT2A 1074/4885

“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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