SCHEMBL2915035

SCHEMBL2915035

N#Cc1ccc(Nc2cc(Cl)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 2/20 1.00
▸ VCAM1 P19320 3/20 0.57
▸ LRRK2 Q5S007 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPT P10636 6/20 0.43
▸ CXCR2 P25025 2/20 0.43
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KAT2B Q92831 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ THRB P10828 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL16969508 0.85 MERTK (0.73) MERTKVCAM1LRRK2L3MBTL1MAPT
SCHEMBL2904358 0.83 MERTK (0.71) MERTKVCAM1LRRK2L3MBTL1MAPT
SCHEMBL2904234 0.81 MERTK (0.68) MERTKL3MBTL1MAPTCXCR2KMT2A
SCHEMBL11528308 0.81 MERTK (0.68) MERTKL3MBTL1MAPTCXCR2KMT2A
SCHEMBL11876938 0.81 MERTK (0.68) MERTKL3MBTL1MAPTCXCR2KMT2A
SCHEMBL11549542 0.81 L3MBTL1 (0.68) MERTKL3MBTL1MAPTCXCR2KMT2A
SCHEMBL3743290 0.78 MERTK (0.64) MERTKVCAM1LRRK2L3MBTL1MAPT
SCHEMBL2902330 0.78 MAPT (0.65) MERTKL3MBTL1MAPTKMT2AMEN1
SCHEMBL25295620 0.78 MERTK (0.64) MERTKVCAM1LRRK2L3MBTL1MAPT
SCHEMBL15286174 0.78 MERTK (0.64) MERTKVCAM1LRRK2L3MBTL1MAPT

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 2953/4885LRRK2 1521/4885

“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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