SCHEMBL944797

SCHEMBL944797

NC(=O)c1c[n+]([O-])ccn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.44
TSHR P16473 1/20 0.44
MC4R P32245 1/20 0.44
ADRA1A P35348 1/20 0.44
MC3R P41968 1/20 0.44
SIRT6 Q8N6T7 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
ABCB1 P08183 1/20 0.30
ABCC1 P33527 1/20 0.30

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
SCHEMBL29956058 0.82 HCAR2 (0.52) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL3456606 0.82 HCAR2 (0.52) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL18104371 0.80 ALDH1A1 (0.44) HCAR2KMT2AMEN1
Water SCHEMBL9818035 0.80 HCAR2 (0.50) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL24863014 0.78 ADORA3 (0.45) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL1134519 0.76 CNR1 (0.41) HCAR2KMT2AMEN1
SCHEMBL9422314 0.74
SCHEMBL3456871 0.73 CYP1A2 (0.46) TSHRKMT2AMEN1
SCHEMBL9422315 0.71 CNR2 (0.31) LMNA
SCHEMBL5883522 0.69 HCAR2 (0.71) ADORA3TSHRMC4RADRA1AMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6256320-A None JP disclosed
CN-101481713-B Method for producing aldinamide by biological catalysis of 2-cyano pyrazine and bacterial strain thereof JIANG University OF TECHNOLOGY (CN) 2011-12-21 CN disclosed
US-20110003691-A1 Substituted Pyrazinylmethyl Sulfonamides For Use As Fungicides BASF SE (DE) 2011-01-06 US disclosed
EP-2265592-A1 SUBSTITUTED PYRAZ INYLMETHYL SULFONAMIDES FOR USE AS. FUNGICIDES BASF SE (DE) 2010-12-29 EP disclosed
US-7842324-B2 Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2010-11-30 US disclosed
WO-2009112523-A1 SUBSTITUTED PYRAZ INYLMETHYL SULFONAMIDES FOR USE AS. FUNGICIDES BASF SE (DE) 2009-09-17 WO disclosed
CN-101481713-A Method for producing aldinamide by biological catalysis of 2-cyano pyrazine and bacterial strain thereof UNIV ZHEJIANG TECHNOLOGY (CN) 2009-07-15 CN disclosed
EP-1907353-A2 BIS-AROMATIC AMIDES AND THEIR USES AS SWEET FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx Inc. (US) 2008-04-09 EP disclosed
US-20070003680-A1 Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers SENOMYX, INC. 2007-01-04 US disclosed
WO-2006138512-A2 BIS-AROMATIC AMIDES AND THEIR USES AS SWEET FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-12-28 WO disclosed
JP-H06256320-A PYRAZINE 4-OXIDE DERIVATIVE EFFECTIVE FOR MYCOBACTERIUM TUBERCULOSIS KOEI CHEM CO LTD 1994-09-13 JP disclosed
US-4293552-A Novel 1-(mono-o-substituted benzoyl)-3-(substituted pyrazinyl) ureas ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 US disclosed
US-4083977-A Novel insecticidal 1-(substituted benzoyl)-3-(substituted pyrazinyl)ureas ELI LILLY AND COMPANY (US) 1978-04-11 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 (1 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-20110003691-A1 Substituted Pyrazinylmethyl Sulfonamides For Use As Fungicides PRXL2A, ARSA, PADI1 ADORA3 602/4885TSHR 751/4885MC4R 3563/4885

“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.