SCHEMBL16969470

SCHEMBL16969470

Cc1cc(CO)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 2/20 0.48
▸ MAPT P10636 6/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ ABCC3 O15438 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ CHRM1 P11229 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
SCHEMBL16969534 0.94 MERTK (0.50) MERTKMAPTRAB9AKMT2ALMNA
SCHEMBL16969513 0.88 MERTK (0.45) MERTKMAPTRAB9AKMT2ALMNA
SCHEMBL16969474 0.85 MERTK (0.53) MERTKMAPTRAB9AKMT2ALMNA
SCHEMBL16984553 0.83 CYP2C9 (0.41) MAPTKMT2ALMNAHTTSMN1; SMN2
SCHEMBL2898995 0.82 MERTK (0.59) MERTKMAPTRAB9AKMT2ALMNA
SCHEMBL2896050 0.81 MERTK (0.58) MERTKMAPTRAB9AKMT2ALMNA
SCHEMBL2902504 0.79 MERTK (0.56) MERTKMAPTRAB9AKMT2AHTT
SCHEMBL16984625 0.79 MERTK (0.43) MERTKMAPTRAB9AKMT2ALMNA
SCHEMBL2902627 0.79 MERTK (0.58) MERTKMAPTRAB9AKMT2AHTT
SCHEMBL16969423 0.77 MERTK (0.51) MERTKMAPTRAB9AKMT2ALMNA

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 6 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 claimed
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 claimed
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-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
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 901/4885RAB9A 203/4885

“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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