SCHEMBL929285

SCHEMBL929285

Cc1c(OCCCC2COC(C)(C)O2)ccnc1CSc1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.57
RAB9A P51151 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
NPC1 O15118 2/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
AR P10275 3/20 0.44
ALDH1A1 P00352 2/20 0.42
DDAH1 O94760 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
IDE P14735 1/20 0.42
HPGD P15428 1/20 0.42
ADRA2B P18089 1/20 0.42
TBXA2R P21731 1/20 0.42

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
SCHEMBL929790 0.96 CYP2C9 (0.58) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL13823063 0.91 CYP2C9 (0.55) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL929851 0.91 CYP2C9 (0.55) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL710029 0.91 RAB9A (0.60) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL929090 0.87 CYP2C9 (0.56) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL712210 0.85 RAB9A (0.64) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL14602178 0.82 CYP2C9 (0.41) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL8501941 0.80 CYP2C9 (0.72) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2986625 0.80 RAB9A (0.72) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL15796996 0.80 RAB9A (0.72) CYP2C9RAB9ACYP1A2CYP2D6CYP2C19

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 CYP2C9 255/4885RAB9A 1127/4885CYP1A2 84/4885
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION GIPR, HRH2, SI CYP2C9 255/4885RAB9A 1127/4885CYP1A2 84/4885

“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.