SCHEMBL712978

SCHEMBL712978

Cc1cnc(CSc2nc3ccccc3[nH]2)c(C)c1OCC1COC2(CCC2)OC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.49
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
AR P10275 3/20 0.41
KMT2A Q03164 4/20 0.39
WDR5 P61964 1/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SARM1 Q6SZW1 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL710578 0.93 BRS3 (0.52) BRS3RAB9ANPC1CYP1A2CYP2D6
SCHEMBL714120 0.85 BRS3 (0.45) BRS3RAB9ANPC1CYP1A2CYP2D6
SCHEMBL713791 0.85 BRS3 (0.44) BRS3RAB9ANPC1CYP1A2CYP2D6
SCHEMBL13358837 0.83 RAB9A (0.59) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL714888 0.81 WDR5 (0.38) RAB9ANPC1KMT2AWDR5SARM1
SCHEMBL714283 0.81 WDR5 (0.38) RAB9ANPC1KMT2AWDR5SARM1
SCHEMBL714282 0.81 WDR5 (0.38) RAB9ANPC1KMT2AWDR5SARM1
SCHEMBL719953 0.79 BRS3 (0.41) BRS3RAB9ANPC1CYP1A2CYP2D6
SCHEMBL712493 0.79 RAB9A (0.58) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL713495 0.79 RAB9A (0.58) RAB9ANPC1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
US-20100022778-A1 PROCESS FOR PRODUCTION OF SULFINYLBENZIMIDAZOLE COMPOUNDS OR SALTS THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-01-28 US disclosed
US-20100022778-A1 PROCESS FOR PRODUCTION OF SULFINYLBENZIMIDAZOLE COMPOUNDS OR SALTS THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-01-28 US disclosed
US-20100022778-A1 PROCESS FOR PRODUCTION OF SULFINYLBENZIMIDAZOLE COMPOUNDS OR SALTS THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-01-28 US disclosed
US-20090292120-A1 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-26 US disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
EP-2065379-A1 BENZIMIDAZOLE COMPOUND HAVING GASTRIC ACID SECRETION INHIBITORY ACTIVITY Eisai R&D Management Co., Ltd. (JP) 2009-06-03 EP disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
WO-2008047849-A1 PROCESS FOR THE PRODUCTION OF 2- [ [4- T (2, 2-DIMETHYL-1, 3-DIOXAN-5-YL) METHOXY] PYRIDIN-2-YL] METHYLTHIO] -1H-BENZIMIDAZOLE EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-04-24 WO disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 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 (6 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-20090292120-A1 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION GIPR, HRH2, SI BRS3 99/4885RAB9A 1127/4885NPC1 2989/4885
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION GIPR, HRH2, SI BRS3 99/4885RAB9A 1127/4885NPC1 2989/4885
US-20070010542-A1 Benzimidazole compound HRH2, GIPR, HRH4 BRS3 21/4885RAB9A 1686/4885NPC1 1355/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 BRS3 28/4885RAB9A 1821/4885NPC1 1544/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 BRS3 21/4885RAB9A 1686/4885NPC1 1355/4885
US-20100022778-A1 PROCESS FOR PRODUCTION OF SULFINYLBENZIMIDAZOLE COMPOUNDS OR SALTS THEREOF SULT1E1, SULT1A1, SQOR BRS3 1279/4885RAB9A 3186/4885NPC1 4756/4885

“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.