SCHEMBL930215

SCHEMBL930215

[O-][S+](Cc1cc(OCC2COCCO2)ccn1)c1nc2ccccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 12/20 0.39
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
GPR84 Q9NQS5 6/20 0.37
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL4367226 0.92 NOS3 (0.38) GRM4NOS3NOS1NOS2ALDH1A1
SCHEMBL4367253 0.85 NOS1 (0.39) NOS3NOS1NOS2ALDH1A1TP53
SCHEMBL8435843 0.83 CYP2C9 (0.46) NOS3NOS1NOS2ALDH1A1TP53
SCHEMBL10207820 0.81 NOS3 (0.36) NOS3NOS1NOS2TP53SMN1; SMN2
SCHEMBL10207824 0.81 CYP2C9 (0.39) GRM4GPR84ALDH1A1CYP3A4TSHR
SCHEMBL929600 0.81 NOS2 (0.41) NOS3NOS1NOS2ALDH1A1TP53
SCHEMBL712266 0.81 NOS3 (0.37) NOS3NOS1NOS2TP53SMN1; SMN2
SCHEMBL712877 0.81 CYP2C9 (0.39) GRM4GPR84ALDH1A1CYP3A4TSHR
SCHEMBL714129 0.81 NOS3 (0.35) NOS3NOS1NOS2
SCHEMBL712878 0.81 CYP2C9 (0.39) GRM4GPR84ALDH1A1CYP3A4TSHR

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 GRM4 1268/4885NOS3 1914/4885NOS1 1176/4885
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION GIPR, HRH2, SI GRM4 1268/4885NOS3 1914/4885NOS1 1176/4885

“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.