SCHEMBL906408

SCHEMBL906408

CC(=O)NCCNc1nc(NCc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
SIRT5 Q9NXA8 2/20 0.48
SCD O00767 7/20 0.45
GLP1R P43220 1/20 0.41
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
IKBKB O14920 1/20 0.39
RAB9A P51151 1/20 0.39
FOLH1 Q04609 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
SCHEMBL1181871 0.91 MAPT (0.47) MAPTSIRT5SCDGLP1RCYP1A2
SCHEMBL1182286 0.88 MAPT (0.56) MAPTSIRT5SCDCYP1A2CYP3A4
SCHEMBL1181351 0.88 MAPT (0.48) MAPTSIRT5SCDTSHRCYP1A2
SCHEMBL4383230 0.86 SIRT5 (0.59) MAPTSIRT5FOLH1
SCHEMBL1182313 0.86 SIRT5 (0.59) MAPTSIRT5FOLH1
SCHEMBL1181753 0.85 SIRT5 (0.48) MAPTSIRT5SCDIKBKBFOLH1
SCHEMBL1183047 0.85 SIRT5 (0.52) MAPTSIRT5CYP1A2CYP3A4CYP2D6
SCHEMBL1182432 0.84 SIRT5 (0.59) MAPTSIRT5FOLH1
SCHEMBL906583 0.83 MAPT (0.55) MAPTSIRT5SCD
SCHEMBL1182065 0.83 MAPT (0.49) MAPTSIRT5TSHRFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148376-B2 3, 4-dihydroquinoxalin-2(1H)-ones for use as stearoyl CoA desaturase inhibitors GILEAD SCIENCES, INC. (US) 2012-04-03 US 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-20100204238-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-08-12 US disclosed
US-7732453-B2 Pyrido[2,3-B] pyrazin-3(4H)-ones for use as stearoyl CoA desaturase inhibitors GILEAD PALO ALTO, INC. (US) 2010-06-08 US 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
EP-2066665-A2 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2009-06-10 EP 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
US-20080139570-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2008-06-12 US disclosed
WO-2008043087-A2 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2008-04-10 WO 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 (3 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-20100204238-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN MAPT 3727/4885SIRT5 334/4885SCD 1/4885
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 4376/4885SIRT5 382/4885SCD 1/4885
US-20080139570-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN MAPT 3727/4885SIRT5 334/4885SCD 1/4885

“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.