SCHEMBL676381

SCHEMBL676381

BrCc1ccc(-n2cncn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2A6 P11509 1/20 0.46
FBP1 P09467 1/20 0.44
CYP11B2 P19099 1/20 0.42
BRS3 P32247 1/20 0.42
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK10 P53779 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL19567209 0.82 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4573347 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL6847934 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL696687 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4573341 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL13109196 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL9454369 0.79 CYP2A6 (0.49) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL6875879 0.78 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL6852387 0.78 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL6852241 0.78 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630779-B1 ANTIBIOTIC RESISTANCE BREAKERS KING S COLLEGE LONDON (GB) 2025-09-03 EP disclosed
EP-4271672-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-08 EP disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
CN-110869373-B Antibiotic resistance disruptors 伦敦皇家学院 2023-03-07 CN disclosed
WO-2022225941-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-27 WO disclosed
US-11332459-B2 Benzimidazole derivatives and their uses TEIJIN PHARMA LIMITED (JP) 2022-05-17 US disclosed
US-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES AMGEN INC. (US) 2020-10-01 US disclosed
CN-110869373-A Antibiotic resistance disruptors 伦敦皇家学院 2020-03-06 CN disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-20070129341-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-07 US disclosed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
EP-1740569-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO disclosed
WO-2005105781-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-11-10 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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 (7 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-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. BACE1, APP, BACE2 SMN1; SMN2 2998/4885KDM4E 1793/4885ALDH1A1 3005/4885
US-11746116-B2 Antibiotic resistance breakers ABCC1, ARL1, AKR1C3 SMN1; SMN2 3631/4885KDM4E 3599/4885ALDH1A1 481/4885
US-20070129341-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS TFPI, TFPI2, SERPINC1 SMN1; SMN2 4630/4885KDM4E 2782/4885ALDH1A1 1472/4885
US-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES TRPC6, TRPV6, TRPM6 SMN1; SMN2 3653/4885KDM4E 2263/4885ALDH1A1 1564/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE SMN1; SMN2 4417/4885KDM4E 733/4885ALDH1A1 747/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMN1; SMN2 1394/4885KDM4E 574/4885ALDH1A1 617/4885
US-11332459-B2 Benzimidazole derivatives and their uses TRPC6, TRPV6, TRPM6 SMN1; SMN2 3653/4885KDM4E 2263/4885ALDH1A1 1564/4885

“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.