SCHEMBL6139625

SCHEMBL6139625

Cc1cccc2[nH]c(O)nc12

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGAM O43451 16/20 0.60
GAA P10253 16/20 0.60
SI P14410 16/20 0.60
MGAM2 Q2M2H8 16/20 0.60
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ESR1 P03372 1/20 0.50
CBFB Q13951 1/20 0.50

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
SCHEMBL6509109 0.87 CD44 (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4314003 0.79 ACHE (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1170892 0.79 MGAM (0.71) MGAMGAASIMGAM2ESR1
SCHEMBL353891 0.79 PARP1 (0.56) MGAMGAASIMGAM2ESR1
Bromide SCHEMBL5318091 0.78 PARP1 (0.55) MGAMGAASIMGAM2ESR1
Bromide SCHEMBL11628987 0.78 ACHE (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8956217 0.76 PSMD14 (0.39) MGAMGAASIMGAM2TDP1
SCHEMBL17801881 0.76 MGAM (0.53) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3109602 0.76 MGAM (0.60) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4692683 0.76 MGAM (0.53) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
EP-3294732-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Gilead Sciences, Inc. (US) 2018-03-21 EP disclosed
WO-2017106552-A1 POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AND COMBINATION THERAPY UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-06-22 WO disclosed
WO-2016186967-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES, INC. (US) 2016-11-24 WO disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-6979683-B2 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2005-12-27 US disclosed
US-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-02-10 US disclosed
EP-1309594-B1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2004-12-15 EP disclosed
US-6794382-B2 6-OXO-5,6-DIHYDRO-4H-IMIDAZO(4,5,1-IJ)QUINOLINE DERIVATIVES AS INHIBITORS OF ADP-RIBOSYLTRANSFERASE; CARDIOVASCULAR, IMMUNOLOGICAL, RESPIRATORY SYSTEM, AND NEURODEGENERATIVE DISORDER TREATMENT SANOFI-SYNTHELABO (FR) 2004-09-21 US disclosed
EP-1339719-B1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed
US-20040029866-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2004-02-12 US disclosed
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2003-10-30 US disclosed
EP-1339719-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
EP-1309594-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2003-05-14 EP disclosed
WO-2002042306-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-05-30 WO disclosed
WO-2002012239-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-02-14 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 (4 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-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, CYP3A7, HDAC7 MGAM 4731/4885GAA 3044/4885SI 3115/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT MGAM 537/4885GAA 815/4885SI 722/4885
US-20040029866-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, CBR1, NR3C1 MGAM 4842/4885GAA 4076/4885SI 4468/4885
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, HRH4, CBR1 MGAM 4774/4885GAA 3140/4885SI 3478/4885

“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.