SCHEMBL929345

SCHEMBL929345

Cc1c(OCCC2COC3(CCCCC3)O2)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.38
ADRA1A P35348 3/20 0.38
ADRA1D P25100 3/20 0.38
ADRA1B P35368 3/20 0.38
CYP2C9 P11712 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 4/20 0.37
WDR5 P61964 3/20 0.37
ENGASE Q8NFI3 3/20 0.37
MAPT P10636 3/20 0.37
DDAH1 O94760 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
HPGD P15428 2/20 0.37
TBXA2R P21731 2/20 0.37
NPY1R P25929 2/20 0.37
ADORA1 P30542 2/20 0.37
OPRM1 P35372 2/20 0.37
HTR3A P46098 2/20 0.37
FASN P49327 2/20 0.37

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
SCHEMBL929309 0.99 CYP2C9 (0.38) HTR1AADRA1AADRA1DADRA1BCYP2C9
SCHEMBL928437 0.98 CYP2C9 (0.38) HTR1AADRA1AADRA1DADRA1BCYP2C9
SCHEMBL929105 0.94 CYP2C9 (0.39) HTR1AADRA1AADRA1DADRA1BCYP2C9
SCHEMBL929273 0.93 CYP2C9 (0.37) HTR1AADRA1AADRA1DADRA1BCYP2C9
SCHEMBL929745 0.93 CYP2C9 (0.39) HTR1AADRA1AADRA1DADRA1BCYP2C9
SCHEMBL10207836 0.92 CYP2C9 (0.36) HTR1AADRA1AADRA1DADRA1BCYP2C9
SCHEMBL714213 0.92 CYP2C9 (0.35) HTR1AADRA1AADRA1DADRA1BCYP2C9
SCHEMBL714212 0.92 CYP2C9 (0.35) HTR1AADRA1AADRA1DADRA1BCYP2C9
SCHEMBL10207841 0.91 CYP2C9 (0.39) HTR1AADRA1ACYP2C9KMT2AALDH1A1
SCHEMBL10207828 0.91 CYP2C9 (0.39) HTR1AADRA1ACYP2C9KMT2AALDH1A1

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 HTR1A 791/4885ADRA1A 453/4885ADRA1D 597/4885
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION GIPR, HRH2, SI HTR1A 791/4885ADRA1A 453/4885ADRA1D 597/4885

“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.