SCHEMBL2904460

SCHEMBL2904460

N#Cc1ccc(Nc2cc(Cl)cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 2/20 0.54
▸ VCAM1 P19320 5/20 0.47
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.41
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT1 Q99873 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ GSK3B P49841 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
SCHEMBL16396047 0.85 L3MBTL1 (0.49) MAPTMEN1KMT2AHPGDALOX12
SCHEMBL28000534 0.78 L3MBTL1 (0.52) MAPTMEN1KMT2AHPGDALOX12
SCHEMBL11152165 0.78 MERTK (0.58) MERTKVCAM1ABCG2MAPTTHRB
SCHEMBL15054166 0.77 VCAM1 (0.56) MERTKVCAM1ABCG2MAPTMEN1
SCHEMBL3771130 0.76 VCAM1 (0.74) MERTKVCAM1TSHRALDH1A1TDP1
SCHEMBL11151242 0.74 MAPT (0.50) MAPTMEN1KMT2AHPGDALOX12
SCHEMBL2904823 0.74 ABCG2 (0.43) MERTKVCAM1ABCG2MAPTTHRB
SCHEMBL2904358 0.73 MERTK (0.71) MERTKVCAM1MAPTMEN1KMT2A
SCHEMBL17630032 0.73 VCAM1 (0.53) MERTKVCAM1MAPTALDH1A1
SCHEMBL2915035 0.70 MERTK (1.00) MERTKVCAM1MAPTTHRBMEN1

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 4 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 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 MERTK 3429/4885VCAM1 2953/4885ABCG2 433/4885

“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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