SCHEMBL1182285

SCHEMBL1182285

CC(=O)NCCNc1nc(NCc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
SIRT5 Q9NXA8 2/20 0.49
SERPINE1 P05121 2/20 0.49
SCD O00767 5/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
IP6K1 Q92551 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
CCR1 P32246 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL1181660 0.92 SIRT5 (0.47) MAPTSIRT5SERPINE1SCDMEN1
SCHEMBL1182126 0.89 SIRT5 (0.50) MAPTSIRT5SERPINE1SCDMEN1
SCHEMBL1181638 0.88 SIRT5 (0.45) MAPTSIRT5SERPINE1SCDMEN1
SCHEMBL1182094 0.88 MAPT (0.52) MAPTSIRT5SERPINE1SCDAURKA
SCHEMBL1182286 0.87 MAPT (0.56) MAPTSIRT5SCDMEN1KMT2A
SCHEMBL906583 0.86 MAPT (0.55) MAPTSIRT5SCDKMT2AATG4B
SCHEMBL1182738 0.84 SCD (0.48) MAPTSIRT5SERPINE1SCDRPS6KB1
SCHEMBL1182282 0.82 SIRT5 (0.44) MAPTSIRT5SERPINE1MEN1KMT2A
SCHEMBL1183047 0.81 SIRT5 (0.52) MAPTSIRT5MEN1KMT2AALDH1A1
SCHEMBL906408 0.81 MAPT (0.49) MAPTSIRT5SCD

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 7 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
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
CN-101522676-A Bicyclic nitrogen-containing heterocyclic compounds as stearoyl-CoA dehydrogenase inhibitors CV THERAPEUTICS INC (US) 2009-09-02 CN 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

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 334/4885SERPINE1 3773/4885
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 382/4885SERPINE1 3914/4885
US-20080139570-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN MAPT 3727/4885SIRT5 334/4885SERPINE1 3773/4885

“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.