SCHEMBL8548236

SCHEMBL8548236

COCCCOc1ccnc(C[S+]([O-])c2nc3cc(C)ccc3[nH]2)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.47
WDR5 P61964 4/20 0.47
KMT2A Q03164 4/20 0.47
ENGASE Q8NFI3 3/20 0.47
DDAH1 O94760 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
TBXA2R P21731 2/20 0.47
NPY1R P25929 2/20 0.47
ADORA1 P30542 2/20 0.47
OPRM1 P35372 2/20 0.47
HTR3A P46098 2/20 0.47
FASN P49327 2/20 0.47
SARM1 Q6SZW1 2/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
HTR1A P08908 1/20 0.47
IDE P14735 1/20 0.47

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
SCHEMBL8500260 0.92 KMT2A (0.47) CYP2C9WDR5KMT2AENGASEDDAH1
SCHEMBL23988383 0.90 KMT2A (0.46) CYP2C9WDR5KMT2AENGASEDDAH1
SCHEMBL13285144 0.90 CYP2C9 (0.46) CYP2C9WDR5KMT2AENGASEDDAH1
SCHEMBL23988394 0.90 KMT2A (0.46) CYP2C9WDR5KMT2AENGASEDDAH1
SCHEMBL8548480 0.90 CYP2C9 (0.46) CYP2C9WDR5KMT2AENGASEDDAH1
SCHEMBL8503315 0.90 KMT2A (0.46) CYP2C9WDR5KMT2AENGASEDDAH1
Rabeprazole SCHEMBL6081725 0.89 KMT2A (0.60) CYP2C9WDR5KMT2AENGASEDDAH1
Rabeprazole SCHEMBL6081727 0.89 KMT2A (0.60) CYP2C9WDR5KMT2AENGASEDDAH1
SCHEMBL8503340 0.89 CYP2C9 (0.46) CYP2C9WDR5KMT2AENGASEDDAH1
Dexrabeprazole SCHEMBL4946138 0.88 KMT2A (0.61) CYP2C9WDR5KMT2AENGASEDDAH1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070942-A1 PRAZOLE DERIVATIVES AND SALTS THEREOF AND USE OF SAME JIANGSU HANSEN PHARMACEUTICAL CO., LTD. (CN) 2008-03-20 US disclosed
US-5840910-A Pyridine derivatives having anti-ulcerative activity ESAI CO., LTD. (JP) 1998-11-24 US disclosed
EP-0268956-B2 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same EISAI CO LTD (JP) 1998-04-15 EP disclosed
EP-0786461-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1997-07-30 EP disclosed
EP-0654471-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and process for preparing the same Eisai Co., Ltd. (JP) 1995-05-24 EP disclosed
EP-0475456-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1992-03-18 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 (1 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-20080070942-A1 PRAZOLE DERIVATIVES AND SALTS THEREOF AND USE OF SAME SLC10A2, GIPR, CACNA1E CYP2C9 96/4885WDR5 2930/4885KMT2A 2743/4885

“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.