SCHEMBL710578

SCHEMBL710578

Cc1cnc(CSc2nc3ccccc3[nH]2)c(C)c1OCC1COC(C)(C)OC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.52
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
AR P10275 2/20 0.44
KMT2A Q03164 4/20 0.41
WDR5 P61964 1/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL712978 0.93 BRS3 (0.49) BRS3RAB9ANPC1CYP1A2CYP2D6
SCHEMBL714120 0.92 BRS3 (0.45) BRS3RAB9ANPC1CYP1A2CYP2D6
SCHEMBL713791 0.91 BRS3 (0.44) BRS3RAB9ANPC1CYP1A2CYP2D6
SCHEMBL719953 0.85 BRS3 (0.41) BRS3RAB9ANPC1CYP1A2CYP2D6
SCHEMBL712210 0.84 RAB9A (0.64) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL10578851 0.81 BRS3 (0.74) BRS3RAB9ANPC1CYP1A2CYP2D6
Azeloprazole SCHEMBL710150 0.80 KMT2A (0.40) BRS3RAB9ANPC1CYP1A2CYP2C9
Azeloprazole SCHEMBL4333430 0.80 KMT2A (0.40) BRS3RAB9ANPC1CYP1A2CYP2C9
SCHEMBL13358775 0.80 KMT2A (0.42) BRS3RAB9ANPC1CYP1A2CYP2D6
Azeloprazole SCHEMBL31312701 0.80 KMT2A (0.40) BRS3RAB9ANPC1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040564-B2 Stabilized composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-05-26 US disclosed
US-9040564-B2 Stabilized composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-05-26 US disclosed
US-9040564-B2 Stabilized composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-05-26 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-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
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 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
EP-1875911-A1 STABILIZED COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2008-01-09 EP disclosed
EP-1875911-A1 STABILIZED COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2008-01-09 EP disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP 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-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
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 (3 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-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-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 BRS3 21/4885RAB9A 1686/4885NPC1 1355/4885

“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.