SCHEMBL1308045

SCHEMBL1308045

COCCCOc1ccnc(CO)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
CYP2C9 P11712 2/20 0.49
WDR5 P61964 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
DDAH1 O94760 1/20 0.49
LMNA P02545 1/20 0.49
HTR1A P08908 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
IDE P14735 1/20 0.49
HPGD P15428 1/20 0.49
ADRA2B P18089 1/20 0.49
TBXA2R P21731 1/20 0.49
ACHE P22303 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
NPY1R P25929 1/20 0.49
ADORA1 P30542 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49

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
Hydrochloric Acid SCHEMBL28082967 0.98 KMT2A (0.48) KMT2ACYP2C9WDR5MAPTALDH1A1
SCHEMBL8503134 0.88 KMT2A (0.42) KMT2ACYP2C9WDR5MAPTALDH1A1
SCHEMBL8088378 0.88 ALDH1A1 (0.39) KMT2ACYP2C9WDR5MAPTALDH1A1
SCHEMBL2990106 0.87 CYP2C9 (0.40) KMT2ACYP2C9WDR5MAPTALDH1A1
SCHEMBL8081216 0.87 CYP2C9 (0.39) KMT2ACYP2C9WDR5MAPTALDH1A1
SCHEMBL24520493 0.87 MAPT (0.49) KMT2ACYP2C9WDR5MAPTALDH1A1
SCHEMBL6865773 0.87 LOX (0.41) KMT2ACYP2C9WDR5MAPTALDH1A1
SCHEMBL8503292 0.86 ALDH1A1 (0.38) KMT2ACYP2C9WDR5MAPTALDH1A1
SCHEMBL1735592 0.85 LOX (0.41) KMT2ACYP2C9WDR5MAPTALDH1A1
SCHEMBL1735527 0.85 LOX (0.41) KMT2ACYP2C9WDR5MAPTALDH1A1

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111704573-B Preparation method of rabeprazole chloride and intermediate thereof 珠海润都制药股份有限公司 2022-07-08 CN claimed
CN-111704573-A Preparation method of rabeprazole chloride and intermediate thereof 珠海润都制药股份有限公司 2020-09-25 CN claimed
CN-106083705-A The preparation method of 2 methylol 4 (methoxy propoxy) 3 methyl pyridinium chloride 上药康丽(常州)药业有限公司 2016-11-09 CN claimed
CN-111704573-B Preparation method of rabeprazole chloride and intermediate thereof 珠海润都制药股份有限公司 2022-07-08 CN disclosed
US-11241013-B2 Benzimidazole compounds as agricultural chemicals REDAG CROP PROT LTD (GB) 2022-02-08 US disclosed
US-11224224-B2 Thiobenzoimidazole as fungicides REDAG CROP PROTECTION LTD. (GB) 2022-01-18 US disclosed
US-20210204547-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROT LTD (GB) 2021-07-08 US disclosed
CN-111704573-A Preparation method of rabeprazole chloride and intermediate thereof 珠海润都制药股份有限公司 2020-09-25 CN disclosed
US-20200085053-A1 THIOBENZOIMIDAZOLE AS FUNGICIDES REDAG CROP PROT LTD (GB) 2020-03-19 US disclosed
WO-2019077345-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROTECTION LTD (GB) 2019-04-25 WO disclosed
WO-2018130838-A1 THIOBENZOIMIDAZOLE AS FUNGICIDES REDAG CROP PROTECTION LTD (GB) 2018-07-19 WO disclosed
WO-2001004109-A1 PROCESS FOR THE PRODUCTION OF 2-(2-PYRIDINYLMETHYLSULPHINYL)-1H-BENZIMIDAZOLES QUIMICA SINTETICA, S.A. (ES) 2001-01-18 WO disclosed
US-5998445-A PEPTIC ULCERS EISAI CO., LTD. (JP) 1999-12-07 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
US-5045552-A Pyridine derivatives having anti-ulcerative activity EISAI CO., LTD. (JP) 1991-09-03 US disclosed
EP-0268956-A2 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) 1988-06-01 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 (4 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-11224224-B2 Thiobenzoimidazole as fungicides CYP1B1, CYP51A1, CYP1A2 KMT2A 2065/4885CYP2C9 19/4885WDR5 2385/4885
US-11241013-B2 Benzimidazole compounds as agricultural chemicals CYP3A4, CYP2C8, CYP2E1 KMT2A 694/4885CYP2C9 28/4885WDR5 2092/4885
US-20210204547-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS CYP3A4, CYP2C8, CYP2E1 KMT2A 694/4885CYP2C9 28/4885WDR5 2092/4885
US-20200085053-A1 THIOBENZOIMIDAZOLE AS FUNGICIDES CYP1B1, CYP51A1, CYP1A2 KMT2A 2065/4885CYP2C9 19/4885WDR5 2385/4885

“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.