SCHEMBL500761

SCHEMBL500761

NCc1ccc(-c2ccccc2C(N)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.67
LTB4R2 Q9NPC1 2/20 0.50
TAAR1 Q96RJ0 1/20 0.48
PPARG P37231 4/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
CHEK1 O14757 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
PLA2G2A P14555 3/20 0.43
PLA2G10 O15496 2/20 0.43
PARP1 P09874 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42

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
Hydrochloric Acid SCHEMBL500203 0.98 BCAT2 (0.65) BCAT2LTB4R2TAAR1PPARGKEAP1
SCHEMBL30207677 0.87 BCAT2 (0.69) BCAT2LTB4R2PPARGCHEK1PLA2G2A
SCHEMBL30933610 0.87 BCAT2 (0.69) BCAT2LTB4R2PPARGKEAP1NFE2L2
SCHEMBL5878337 0.87 BCAT2 (0.87) BCAT2LTB4R2PPARGKEAP1NFE2L2
SCHEMBL3629995 0.86 LTB4R2 (0.57) BCAT2LTB4R2TAAR1
SCHEMBL20946451 0.85 BCAT2 (0.61) BCAT2KEAP1NFE2L2CHEK1PLA2G2A
SCHEMBL16149659 0.85 BCAT2 (0.91) BCAT2KEAP1NFE2L2CHEK1PARP1
SCHEMBL30582476 0.85 BCAT2 (0.83) BCAT2LTB4R2PPARGKEAP1NFE2L2
SCHEMBL5902171 0.84 BCAT2 (0.65) BCAT2LTB4R2PPARGKEAP1NFE2L2
Hydrochloric Acid SCHEMBL6179887 0.84 LTB4R2 (0.56) BCAT2LTB4R2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483582-A Azepine Cabbeen palladium complex crystal and its synthetic method and preparing the application in amide compound UNIV SHAANXI NORMAL 2019-11-22 CN disclosed
CN-108440328-A A kind of amide takes off boc-protected method 常熟理工学院 2018-08-24 CN disclosed
US-8106216-B2 Process for the preparation of Irbesartan AUROBINDO PHARMA LTD. (IN) 2012-01-31 US disclosed
US-8106216-B2 Process for the preparation of Irbesartan AUROBINDO PHARMA LTD. (IN) 2012-01-31 US disclosed
US-20100056797-A1 Process for the Preparation of Irbesartan AUROBINDO PHARMA LTD (IN) 2010-03-04 US disclosed
US-20100056797-A1 Process for the Preparation of Irbesartan AUROBINDO PHARMA LTD (IN) 2010-03-04 US disclosed
WO-2007122508-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF IRBESARTAN AUROBINDO PHARMA LIMITED (IN) 2007-11-01 WO disclosed
EP-1789409-A2 SULFONAMIDES AND USES THEREOF Elixir Pharmaceuticals, Inc. (US) 2007-05-30 EP disclosed
US-20050261332-A1 Sulfonamides and uses thereof ELIXIR PHARMACEUTICALS, INC. 2005-11-24 US disclosed
WO-2005097788-A2 SULFONAMIDES AND USES THEREOF ELIXIR PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed
CN-1058710-C New benzamide derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 2000-11-22 CN disclosed
CN-1098406-A New benzamide derivatives and method for making thereof and the pharmaceutical composition that contains them FUJISAWA PHARMACEUTICAL CO (JP) 1995-02-08 CN 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 (2 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-20050261332-A1 Sulfonamides and uses thereof GLS2, STS, ABAT BCAT2 238/4885LTB4R2 2432/4885TAAR1 3902/4885
US-20100056797-A1 Process for the Preparation of Irbesartan AGTR1, REN, AGTR2 BCAT2 2272/4885LTB4R2 2018/4885TAAR1 248/4885

“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.