SCHEMBL929309

SCHEMBL929309

Cc1c(OCCC2COC3(CCCC3)O2)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.38
HTR1A P08908 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 4/20 0.38
WDR5 P61964 3/20 0.38
ENGASE Q8NFI3 3/20 0.38
ADRA1A P35348 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
DDAH1 O94760 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
HPGD P15428 2/20 0.38
TBXA2R P21731 2/20 0.38
NPY1R P25929 2/20 0.38
ADORA1 P30542 2/20 0.38
OPRM1 P35372 2/20 0.38
HTR3A P46098 2/20 0.38
FASN P49327 2/20 0.38
SARM1 Q6SZW1 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38

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
SCHEMBL929345 0.99 HTR1A (0.38) CYP2C9HTR1AKMT2ALMNAWDR5
SCHEMBL928437 0.98 CYP2C9 (0.38) CYP2C9HTR1AKMT2ALMNAWDR5
SCHEMBL929105 0.95 CYP2C9 (0.39) CYP2C9HTR1AKMT2ALMNAWDR5
SCHEMBL929745 0.94 CYP2C9 (0.39) CYP2C9HTR1AKMT2ALMNAWDR5
SCHEMBL929273 0.94 CYP2C9 (0.37) CYP2C9HTR1AKMT2ALMNAWDR5
SCHEMBL10207836 0.91 CYP2C9 (0.36) CYP2C9HTR1AKMT2ALMNAWDR5
SCHEMBL10207841 0.91 CYP2C9 (0.39) CYP2C9HTR1AKMT2ALMNAWDR5
SCHEMBL10207828 0.91 CYP2C9 (0.39) CYP2C9HTR1AKMT2ALMNAWDR5
SCHEMBL10207843 0.91 CYP2C9 (0.39) CYP2C9HTR1AKMT2ALMNAWDR5
SCHEMBL714213 0.91 CYP2C9 (0.35) CYP2C9HTR1AKMT2ALMNAWDR5

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 9 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-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 CYP2C9 255/4885HTR1A 791/4885KMT2A 4196/4885
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION GIPR, HRH2, SI CYP2C9 255/4885HTR1A 791/4885KMT2A 4196/4885

“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.