SCHEMBL2902625

SCHEMBL2902625

Cc1cccc(C)c1Oc1ccc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 2/20 0.52
▸ MAPT P10636 6/20 0.48
▸ MAPK1 P28482 4/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ AR P10275 1/20 0.40
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ AKR1B10 O60218 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ AKR1C4 P17516 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ GAA P10253 2/20 0.37

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
SCHEMBL2902186 0.92 MERTK (0.53) MERTKMAPTMAPK1TDP1L3MBTL1
SCHEMBL2903070 0.89 MERTK (0.50) MERTKMAPTMAPK1TDP1L3MBTL1
SCHEMBL2902627 0.85 MERTK (0.58) MERTKMAPTMAPK1TDP1L3MBTL1
SCHEMBL2330180 0.83 MERTK (0.60) MERTKMAPTMAPK1TDP1L3MBTL1
SCHEMBL2904823 0.80 ABCG2 (0.43) MERTKMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL2898995 0.77 MERTK (0.59) MERTKMAPTMAPK1TDP1L3MBTL1
SCHEMBL28073085 0.76 MERTK (0.60) MERTKMAPTMAPK1TDP1L3MBTL1
SCHEMBL2896050 0.76 MERTK (0.58) MERTKMAPTMAPK1TDP1L3MBTL1
SCHEMBL2327235 0.75 AKR1C3 (0.53) MERTKMAPTMAPK1TDP1L3MBTL1
SCHEMBL2902504 0.74 MERTK (0.56) MERTKMAPTMAPK1TDP1L3MBTL1

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 MERTK 3429/4885MAPT 1372/4885MAPK1 1467/4885

“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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