SCHEMBL1287816

SCHEMBL1287816

O=C(O)c1ccc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ LDHA P00338 1/20 0.58
▸ CYP3A4 P08684 1/20 0.56
▸ NR4A1 P22736 1/20 0.53
▸ NR4A2 P43354 1/20 0.53
▸ NR4A3 Q92570 1/20 0.53
▸ NCEH1 Q6PIU2 1/20 0.52
▸ CDC25B P30305 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ S100A4 P26447 1/20 0.46
▸ HPRT1 P00492 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44

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
SCHEMBL28804512 0.89 TSHR (0.59) WDR5TSHRLDHACYP3A4NR4A1
SCHEMBL26054329 0.82 TSHR (0.55) WDR5TSHRLDHACYP3A4NCEH1
SCHEMBL1287810 0.82 NCEH1 (0.57) TSHRCYP3A4NR4A2NCEH1ALDH1A1
SCHEMBL5836018 0.80 CYP3A4 (0.59) TSHRCYP3A4NR4A1NR4A2NR4A3
SCHEMBL9558553 0.80 CYP3A4 (0.59) WDR5TSHRLDHACYP3A4ALDH1A1
SCHEMBL9827265 0.80 CYP3A4 (0.59) TSHRCYP3A4NR4A1NR4A2NR4A3
SCHEMBL17060428 0.79 TSHR (0.55) WDR5TSHRLDHACYP3A4NCEH1
SCHEMBL5837648 0.79 CYP3A4 (0.57) TSHRCYP3A4NR4A1NR4A2NR4A3
SCHEMBL17060426 0.79 TSHR (0.55) WDR5TSHRLDHACYP3A4NCEH1
SCHEMBL28275810 0.78 PTPN1 (0.54) TSHRCYP3A4ALDH1A1LMNAPOLB

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402026-A Molecular isomerization method based on perovskite nanocrystalline sensitization 中国科学院大连化学物理研究所 2024-01-16 — — CN claimed
JP-7326045-A — — None — — JP disclosed
CN-117402026-A Molecular isomerization method based on perovskite nanocrystalline sensitization 中国科学院大连化学物理研究所 2024-01-16 — — CN disclosed
US-10308633-B2 Process for making M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2019-06-04 — — US disclosed
US-9708273-B2 Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2017-07-18 — — US disclosed
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 — — US disclosed
US-9260418-B2 Pyranyl aryl methyl benzoquinolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2016-02-16 — — US disclosed
EP-2624697-B1 DIHYDROBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-11-25 — — EP disclosed
EP-2915812-A1 Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators Merck Sharp & Dohme Corp. (US) 2015-09-09 — — EP disclosed
CN-102480964-B Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME 2015-07-08 — — CN disclosed
WO-2012047702-A1 DIHYDROBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-04-12 — — WO disclosed
CN-102292323-A Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators — 2011-12-21 — — CN disclosed
US-20110224198-A1 ARYL METHYL BENZOQUINAZOLININE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2011-09-15 — — US disclosed
EP-2358686-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2011-08-24 — — EP disclosed
WO-2011084371-A1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 — — WO disclosed
WO-2011025851-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-03-03 — — WO disclosed
US-20100228048-A1 PROCESS FOR PREPARING SUBSTITUTED AROMATIC CARBOXYLIC ACIDS PERKINELMER HEALTH SCIENCES, INC. (US) 2010-09-09 — — US disclosed
US-20100228048-A1 PROCESS FOR PREPARING SUBSTITUTED AROMATIC CARBOXYLIC ACIDS PERKINELMER HEALTH SCIENCES, INC. (US) 2010-09-09 — — US disclosed
WO-2010059773-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-05-27 — — WO disclosed
JP-H07326045-A MAGNETIC RECORDING MEDIUM SONY CORP 1995-12-12 — — JP 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 (4 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-10308633-B2 Process for making M1 receptor positive allosteric modulators CHRM1, CHRM4, CHRM2 WDR5 1726/4885TSHR 399/4885LDHA 4831/4885
US-20110224198-A1 ARYL METHYL BENZOQUINAZOLININE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 WDR5 1357/4885TSHR 632/4885LDHA 4831/4885
US-20100228048-A1 PROCESS FOR PREPARING SUBSTITUTED AROMATIC CARBOXYLIC ACIDS PAH, HAO2, DDC WDR5 1661/4885TSHR 4202/4885LDHA 727/4885
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 WDR5 1566/4885TSHR 587/4885LDHA 4730/4885

“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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