SCHEMBL931008

SCHEMBL931008

CC1(C)COC(CCOc2ccnc(C[S+]([O-])c3nc4ccccc4[nH]3)c2)OC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
AR P10275 3/20 0.33
MEN1 O00255 3/20 0.32
LMNA P02545 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
TP53 P04637 2/20 0.31
RAB9A P51151 2/20 0.31
CHRNB4 P30926 1/20 0.31

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
SCHEMBL929361 0.96 NOS3 (0.38) NOS3NOS1NOS2ARMEN1
SCHEMBL4364471 0.92 NOS1 (0.39) NOS3NOS1NOS2MEN1LMNA
SCHEMBL710468 0.84 NOS3 (0.38) NOS3NOS1NOS2MEN1LMNA
SCHEMBL714673 0.83 NOS3 (0.37) NOS3NOS1NOS2MEN1LMNA
SCHEMBL714672 0.83 NOS3 (0.37) NOS3NOS1NOS2MEN1LMNA
SCHEMBL12908485 0.83 NOS3 (0.37) NOS3NOS1NOS2MEN1LMNA
SCHEMBL10207884 0.82 CYP2C9 (0.41) ARLMNAKMT2AALDH1A1CYP2C9
SCHEMBL930902 0.82 NOS3 (0.37) NOS3NOS1NOS2MEN1LMNA
SCHEMBL712570 0.82 CYP2C9 (0.40) ARLMNAKMT2AALDH1A1CYP2C9
SCHEMBL712571 0.82 CYP2C9 (0.40) ARLMNAKMT2AALDH1A1CYP2C9

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 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.