SCHEMBL906324

SCHEMBL906324

CC(C)(C)OC(=O)NCCNc1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KAT2B Q92831 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
AAK1 Q2M2I8 3/20 0.41
PKM P14618 1/20 0.40
BCHE P06276 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.39
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL2144713 0.91 HCAR3 (0.45) MAPTKAT2BNPC1RAB9ALMNA
SCHEMBL19058464 0.87 NQO2 (0.46) MAPTKAT2BNPC1RAB9ALMNA
SCHEMBL10193104 0.86 NPC1 (0.44) MAPTKAT2BNPC1RAB9ALMNA
SCHEMBL891344 0.85 MAPT (0.54) MAPTKAT2BNPC1RAB9ALMNA
SCHEMBL19058450 0.85 HCAR3 (0.52) MAPTNPC1RAB9ALMNAGAA
SCHEMBL30289209 0.85 MAPT (0.40) MAPTKAT2BLMNAKMT2APKM
SCHEMBL890851 0.84 BRD4 (0.42) MAPTKAT2BNPC1RAB9ALMNA
SCHEMBL1062316 0.84 MAPT (0.47) MAPTNPC1RAB9ALMNAGAA
SCHEMBL2982740 0.83 NPC1 (0.59) MAPTKAT2BNPC1RAB9ALMNA
SCHEMBL29655446 0.83 NPC1 (0.59) MAPTKAT2BNPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922394-B 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors 默沙东公司 2021-07-13 CN disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 US disclosed
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
US-7893066-B2 N-[2-(6-{[(3,4-dichlorophenyl)methyl]amino}-2-(4-methoxyphenyl)-3-oxo-4-hydropyridino[2,3-b]pyrazin-4-yl)ethyl]acetamide derivatives; antidiabetic agents; abnormal lipid levels, obesity; cardiovascular, skin and metabolic disorders GILEAD PALO ALTO, INC. (US) 2011-02-22 US disclosed
EP-2276748-A1 BICYCLIC NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-01-26 EP disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed
WO-2009126123-A1 BICYCLIC NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS INC. (US) 2009-10-15 WO disclosed
US-20080255130-A1 N-[2-(6-{[(3,4-dichlorophenyl)methyl]amino}-2-(4-methoxyphenyl)-3-oxo-4-hydropyridino[2,3-b]pyrazin-4-yl)ethyl]acetamide derivatives; antidiabetic agents; abnormal lipid levels, obesity; cardiovascular, skin and metabolic disorders GILEAD PALO ALTO, INC. 2008-10-16 US 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 (7 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-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 MAPT 3951/4885KAT2B 3897/4885NPC1 860/4885
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MAPT 1496/4885KAT2B 1287/4885NPC1 2430/4885
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 MAPT 4626/4885KAT2B 2036/4885NPC1 1120/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 MAPT 4626/4885KAT2B 2036/4885NPC1 1120/4885
US-20080255130-A1 N-[2-(6-{[(3,4-dichlorophenyl)methyl]amino}-2-(4-methoxyphenyl)-3-oxo-4-hydropyridino[2,3-b]pyrazin-4-yl)ethyl]acetamide derivatives; antidiabetic agents; abnormal lipid levels, obesity; cardiovascular, skin and metabolic disorders SCD, SCD5, FASN MAPT 4376/4885KAT2B 2571/4885NPC1 486/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 MAPT 3951/4885KAT2B 3897/4885NPC1 860/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MAPT 1496/4885KAT2B 1287/4885NPC1 2430/4885

“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.