SCHEMBL2902627

SCHEMBL2902627

Cc1cccc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 2/20 0.58
▸ KMT2A Q03164 7/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ MAPT P10636 5/20 0.41
▸ POLB P06746 3/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ LRRK2 Q5S007 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ GFER P55789 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL2898995 0.92 MERTK (0.59) MERTKKMT2AMEN1MAPTPOLB
SCHEMBL2896050 0.91 MERTK (0.58) MERTKKMT2AMEN1MAPTPOLB
SCHEMBL2902504 0.89 MERTK (0.56) MERTKKMT2AMEN1MAPTPOLB
SCHEMBL2904566 0.88 MAPK1 (0.48) MERTKKMT2AMEN1MAPTPOLB
SCHEMBL16969423 0.85 MERTK (0.51) MERTKKMT2AMEN1MAPTPOLB
SCHEMBL2902625 0.85 MERTK (0.52) MERTKKMT2AMEN1MAPTPOLB
SCHEMBL2896915 0.83 MERTK (0.47) MERTKKMT2AMEN1MAPTPOLB
SCHEMBL3750731 0.81 MERTK (0.45) MERTKKMT2AMEN1MAPTPOLB
SCHEMBL16969474 0.81 MERTK (0.53) MERTKKMT2AMEN1MAPTPOLB
SCHEMBL16969534 0.81 MERTK (0.50) MERTKKMT2AMEN1MAPTPOLB

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 3429/4885KMT2A 418/4885MEN1 3688/4885

“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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