SCHEMBL4367226

SCHEMBL4367226

[O-][S+](Cc1cc(OCC2COCO2)ccn1)c1nc2ccccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
TP53 P04637 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP2C9 P11712 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 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
SCHEMBL930215 0.92 GRM4 (0.39) NOS3NOS1NOS2TP53SMN1; SMN2
SCHEMBL4367253 0.90 NOS1 (0.39) NOS3NOS1NOS2TP53SMN1; SMN2
SCHEMBL8435843 0.83 CYP2C9 (0.46) NOS3NOS1NOS2TP53SMN1; SMN2
SCHEMBL929600 0.82 NOS2 (0.41) NOS3NOS1NOS2TP53SMN1; SMN2
SCHEMBL712266 0.82 NOS3 (0.37) NOS3NOS1NOS2TP53SMN1; SMN2
SCHEMBL710468 0.81 NOS3 (0.38) NOS3NOS1NOS2TP53SMN1; SMN2
SCHEMBL712693 0.81 NOS3 (0.36) NOS3NOS1NOS2TP53SMN1; SMN2
SCHEMBL712692 0.81 NOS3 (0.36) NOS3NOS1NOS2TP53SMN1; SMN2
SCHEMBL710422 0.81 CYP2C9 (0.40) TP53SMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL12908485 0.81 NOS3 (0.37) NOS3NOS1NOS2TP53SMN1; SMN2

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

“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.