SCHEMBL2904823

SCHEMBL2904823

Cc1cccc(C)c1Oc1cc(Nc2ccc(C#N)cc2)cc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.43
▸ MAPT P10636 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HTT P42858 3/20 0.41
▸ MERTK Q12866 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ VCAM1 P19320 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.38
▸ POLB P06746 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ ABCC3 O15438 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ CHRM2 P08172 1/20 0.38

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
SCHEMBL2902625 0.80 MERTK (0.52) ABCG2MAPTKMT2AMEN1HTT
SCHEMBL2902627 0.76 MERTK (0.58) MAPTKMT2AMEN1HTTMERTK
SCHEMBL2904460 0.74 MERTK (0.54) ABCG2MAPTKMT2AMEN1HTT
SCHEMBL2902186 0.72 MERTK (0.53) ABCG2MAPTKMT2AMEN1HTT
SCHEMBL15054166 0.71 VCAM1 (0.56) ABCG2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL722360 0.71 ABCG2 (0.43) ABCG2MAPTKMT2AMEN1HTT
SCHEMBL922641 0.71 AR (0.53) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL1181169 0.70 CYP2C9 (0.52) ABCG2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2903070 0.70 MERTK (0.50) ABCG2MAPTKMT2AMEN1HTT
SCHEMBL11152165 0.69 MERTK (0.58) ABCG2MAPTKMT2AMEN1MERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213650-B1 SUBSTITUTED DIPHENYLAMINES AS INHIBITORS OF REVERSE TRANSCRIPTASE, PROCESS OF PREPARING THEM AND USE THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2015-08-12 — — EP claimed
US-8309602-B2 Multi-substituted diarylanilines as non-nucleoside HIV reverse transcriptase inhibitors, and preparation and use thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY (CN) 2012-11-13 — — US claimed
US-20100292324-A1 Multi-Substituted Diarylanilines as Non-Nucleoside HIV Reverse Transcriptase Inhibitors, and Preparation and Use Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2010-11-18 — — US claimed
EP-2213650-A1 SUBSTITUTED DIPHENYLAMINES AS INHIBITORS OF REVERSE TRANSCRIPTASE, PROCESS OF PREPARING THEM AND USE THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2010-08-04 — — EP claimed
EP-2213650-B1 SUBSTITUTED DIPHENYLAMINES AS INHIBITORS OF REVERSE TRANSCRIPTASE, PROCESS OF PREPARING THEM AND USE THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2015-08-12 — — EP disclosed
US-8309602-B2 Multi-substituted diarylanilines as non-nucleoside HIV reverse transcriptase inhibitors, and preparation and use thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY (CN) 2012-11-13 — — US disclosed
US-20100292324-A1 Multi-Substituted Diarylanilines as Non-Nucleoside HIV Reverse Transcriptase Inhibitors, and Preparation and Use Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2010-11-18 — — US disclosed
EP-2213650-A1 SUBSTITUTED DIPHENYLAMINES AS INHIBITORS OF REVERSE TRANSCRIPTASE, PROCESS OF PREPARING THEM AND USE THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2010-08-04 — — EP 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-20100292324-A1 Multi-Substituted Diarylanilines as Non-Nucleoside HIV Reverse Transcriptase Inhibitors, and Preparation and Use Thereof PNP, POLRMT, QTRT1 ABCG2 433/4885MAPT 1372/4885KMT2A 418/4885

“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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