SCHEMBL751533

SCHEMBL751533

CC(C)(C)OC(=O)Nc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 15/20 0.62
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL17336716 0.90 KMT2A (0.55) HCAR3MEN1KMT2AMAPTLMNA
SCHEMBL4497487 0.88 VCAM1 (0.55) HCAR3MEN1KMT2AMAPTLMNA
SCHEMBL5868984 0.88 HCAR3 (0.55) HCAR3KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL29036613 0.86 MAPT (0.49) HCAR3MEN1KMT2AMAPTLMNA
SCHEMBL8231247 0.85 ALDH1A1 (0.58) KMT2AMAPTLMNAGAAALDH1A1
SCHEMBL31365089 0.85 ALDH1A1 (0.58) KMT2AMAPTLMNAGAAALDH1A1
SCHEMBL23517982 0.84 KMT2A (0.45) HCAR3KMT2AMAPTLMNAALDH1A1
SCHEMBL753425 0.84 KMT2A (0.72) HCAR3MEN1KMT2AMAPTLMNA
SCHEMBL8469198 0.84 KCNMA1 (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL15160073 0.84 HTT (0.53) KMT2AMAPTLMNAGAAALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410189-B Pyrimido pyridine compound and medicinal composition and application thereof 中国科学院上海药物研究所 2024-08-06 CN disclosed
US-20230113588-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-13 US disclosed
EP-3154954-B1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD BURNHAM MED RES INST (US) 2022-02-09 EP disclosed
US-20200347021-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2020-11-05 US disclosed
US-10597367-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-24 US disclosed
US-20190016715-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-17 US disclosed
US-9969726-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 US disclosed
EP-3154954-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford-Burnham Medical Research Institute (US) 2017-04-19 EP disclosed
WO-2015191630-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-17 WO disclosed
EP-1996563-B1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2012-03-21 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 (5 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-20200347021-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 HCAR3 96/4885MEN1 2740/4885KMT2A 942/4885
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof GRM3, GRM2, GRM1 HCAR3 96/4885MEN1 2740/4885KMT2A 942/4885
US-20230113588-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 HCAR3 96/4885MEN1 2740/4885KMT2A 942/4885
US-20190016715-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 HCAR3 96/4885MEN1 2740/4885KMT2A 942/4885
US-10597367-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof GRM3, GRM2, GRM1 HCAR3 96/4885MEN1 2740/4885KMT2A 942/4885

“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.