Sugi Predict

Sugi Predict / Compounds / SCHEMBL1965782

SCHEMBL1965782

SCHEMBL1965782

NC(=O)c1ccccc1-c1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.71
▸ SLC6A3 Q01959 1/20 0.60
▸ GRM2 Q14416 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CHEK1 O14757 1/20 0.48
▸ ALOX5AP P20292 1/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CSNK1A1 P48729 1/20 0.44
▸ TYRO3 Q06418 1/20 0.44

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
SCHEMBL5878337 0.90 BCAT2 (0.87) BCAT2SLC6A3CHEK1ALOX5APFEN1
SCHEMBL30582476 0.88 BCAT2 (0.83) BCAT2SLC6A3CHEK1ALOX5APFEN1
SCHEMBL10629615 0.84 SLC6A3 (0.64) BCAT2SLC6A3CASP1ALDH1A1KDM4E
SCHEMBL31140008 0.84 BCAT2 (0.92) BCAT2CHEK1ALDH1A1KDM4EHPGD
SCHEMBL16149659 0.84 BCAT2 (0.91) BCAT2CHEK1ALDH1A1KDM4EHPGD
SCHEMBL29427545 0.84 BCAT2 (1.00) BCAT2CASP1CHEK1ALDH1A1KDM4E
SCHEMBL132986 0.84 BCAT2 (1.00) BCAT2CASP1CHEK1ALDH1A1KDM4E
SCHEMBL8668460 0.82 BCAT2 (0.74) BCAT2CHEK1ALDH1A1KDM4EHPGD
SCHEMBL3416936 0.82 SLC6A3 (0.62) BCAT2SLC6A3ALDH1A1RXFP1HTT
SCHEMBL1982663 0.82 BCAT2 (0.74) BCAT2SLC6A3CHEK1ALOX5APFEN1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819223-B1 USE OF MENADIONE FOR BOOSTING THE EFFECTIVENESS OF AGROCHEMICALS BASF SE (DE) 2008-03-12 — — EP claimed
EP-1360176-B1 PYRROLECARBOXAMIDES FOR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-11-02 — — EP claimed
US-20040082477-A1 Pyrrolecarboxamides for the use as fungicdes SYNGENTA CROP PROTECTION, INC. 2004-04-29 — — US claimed
EP-1360176-A1 PYRROLECARBOXAMIDES FOR USE AS FUNGICIDES Syngenta Participations AG (CH) 2003-11-12 — — EP claimed
WO-2002064562-A1 PYRROLECARBOXAMIDES FOR THE USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2002-08-22 — — WO claimed
CN-115057794-B Method for removing methylation of cerium catalytic oxidation amide by visible light induction 桂林理工大学 2023-11-17 — — CN disclosed
EP-4157888-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS Cullgen (Shanghai), Inc. (CN) 2023-04-05 — — EP disclosed
CN-115057794-A Novel method for removing methylation of cerium-induced catalytic oxidation amide by visible light 桂林理工大学 2022-09-16 — — CN disclosed
WO-2021239117-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI) , INC. (CN) 2021-12-02 — — WO disclosed
CN-109053780-B Preparation method of antitumor drug Acalabrutinib key intermediate 浙江合聚生物医药有限公司 2020-09-29 — — CN disclosed
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
WO-2019174279-A1 1,2-BENZISOSELENAZOL-3(2H)-ONE AND 1,2-BENZISOTHIAZOL-3(2H)-ONE DERIVATIVES AS BETA-LACTAM ANTIBIOTIC ADJUVANTS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2019-09-19 — — WO disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 — — WO disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 — — WO disclosed
US-20040138265-A1 Carboxamides as fungicides in agriculture SYNGENTA CROP PROTECTION, INC. 2004-07-15 — — US disclosed
US-20040082477-A1 Pyrrolecarboxamides for the use as fungicdes SYNGENTA CROP PROTECTION, INC. 2004-04-29 — — US disclosed
EP-1360176-A1 PYRROLECARBOXAMIDES FOR USE AS FUNGICIDES Syngenta Participations AG (CH) 2003-11-12 — — EP disclosed
EP-1355879-A1 CARBOXAMIDES AS FUNGICIDES IN AGRICULTURE Syngenta Participations AG (CH) 2003-10-29 — — EP disclosed
WO-2002064562-A1 PYRROLECARBOXAMIDES FOR THE USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2002-08-22 — — WO disclosed
WO-2002059086-A1 CARBOXAMIDES AS FUNGICIDES IN AGRICULTURE SYNGENTA PARTICIPATIONS AG (CH) 2002-08-01 — — 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 (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-20040138265-A1 Carboxamides as fungicides in agriculture CBR3, CBR1, CNPY3 BCAT2 1173/4885SLC6A3 2504/4885GRM2 616/4885
US-20040082477-A1 Pyrrolecarboxamides for the use as fungicdes CBR3, HPD, BROX BCAT2 1212/4885SLC6A3 3607/4885GRM2 1435/4885

“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.