SCHEMBL929030

SCHEMBL929030

Cc1cnc(C[S+]([O-])c2nc3ccccc3[nH]2)c(C)c1OCC(CO)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
WDR5 P61964 3/20 0.43
SARM1 Q6SZW1 1/20 0.42
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
BRS3 P32247 2/20 0.32
AR P10275 1/20 0.32
CYP2C9 P11712 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
HPGD P15428 2/20 0.32
ATP1A1 P05023 2/20 0.32
ATP1B1 P05026 2/20 0.32
ATP1A3 P13637 2/20 0.32
ATP1B2 P14415 2/20 0.32
ATP4A P20648 2/20 0.32
ATP1A2 P50993 2/20 0.32
ATP4B P51164 2/20 0.32

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
SCHEMBL929346 0.92 BRS3 (0.46) KMT2AWDR5SARM1NPC1RAB9A
SCHEMBL23988508 0.86 KMT2A (0.47) KMT2AWDR5SARM1NPC1RAB9A
SCHEMBL5348112 0.85 WDR5 (0.58) KMT2AWDR5SARM1NPC1RAB9A
SCHEMBL23988442 0.85 WDR5 (0.58) KMT2AWDR5SARM1NPC1RAB9A
SCHEMBL5348110 0.85 WDR5 (0.58) KMT2AWDR5SARM1NPC1RAB9A
SCHEMBL8119116 0.83 KMT2A (0.45) KMT2AWDR5SARM1NPC1RAB9A
SCHEMBL6440042 0.82 SARM1 (0.61) KMT2AWDR5SARM1NPC1RAB9A
SCHEMBL23988439 0.82 SARM1 (0.61) KMT2AWDR5SARM1NPC1RAB9A
SCHEMBL21945694 0.82 SARM1 (0.61) KMT2AWDR5SARM1NPC1RAB9A
SCHEMBL29323850 0.82 SARM1 (0.53) KMT2AWDR5SARM1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US claimed
US-20090292120-A1 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-26 US claimed
EP-2065379-A1 BENZIMIDAZOLE COMPOUND HAVING GASTRIC ACID SECRETION INHIBITORY ACTIVITY Eisai R&D Management Co., Ltd. (JP) 2009-06-03 EP claimed
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
US-20090292120-A1 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-26 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-20090292120-A1 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-26 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
EP-2065379-A1 BENZIMIDAZOLE COMPOUND HAVING GASTRIC ACID SECRETION INHIBITORY ACTIVITY Eisai R&D Management Co., Ltd. (JP) 2009-06-03 EP 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-20090292120-A1 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION GIPR, HRH2, SI KMT2A 4196/4885WDR5 3357/4885SARM1 3773/4885
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION GIPR, HRH2, SI KMT2A 4196/4885WDR5 3357/4885SARM1 3773/4885

“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.