SCHEMBL929600

SCHEMBL929600

COC1OCC(COc2ccnc(C[S+]([O-])c3nc4ccccc4[nH]3)c2)CO1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.41
NOS1 P29475 4/20 0.41
NOS3 P29474 3/20 0.41
CYP2C9 P11712 3/20 0.35
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
FPR1 P21462 1/20 0.30
FPR2 P25090 1/20 0.30

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
SCHEMBL4367253 0.88 NOS1 (0.39) NOS2NOS1NOS3CYP2C9NPC1
SCHEMBL8435843 0.86 CYP2C9 (0.46) NOS2NOS1NOS3CYP2C9NPC1
SCHEMBL10207819 0.84 CYP2C9 (0.37) NOS2NOS1NOS3CYP2C9NPC1
SCHEMBL712264 0.84 NOS3 (0.37) NOS2NOS1NOS3CYP2C9NPC1
SCHEMBL712266 0.84 NOS3 (0.37) NOS2NOS1NOS3CYP2C9NPC1
SCHEMBL713533 0.83 NOS3 (0.36) NOS2NOS1NOS3CYP2C9NPC1
SCHEMBL712344 0.83 CYP2C9 (0.37) NOS2NOS1NOS3CYP2C9NPC1
SCHEMBL713534 0.83 NOS3 (0.36) NOS2NOS1NOS3CYP2C9NPC1
SCHEMBL712343 0.83 CYP2C9 (0.37) NOS2NOS1NOS3CYP2C9NPC1
SCHEMBL712693 0.83 NOS3 (0.36) NOS2NOS1NOS3CYP2C9NPC1

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 8 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 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 NOS2 1357/4885NOS1 1176/4885NOS3 1914/4885
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION GIPR, HRH2, SI NOS2 1357/4885NOS1 1176/4885NOS3 1914/4885

“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.