SCHEMBL94923

SCHEMBL94923

COc1c(C)cnc(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.53
PDE10A Q9Y233 3/20 0.35
HSP90AA1 P07900 4/20 0.35
KMT2A Q03164 4/20 0.35
WDR5 P61964 3/20 0.35
ATP4A P20648 3/20 0.35
ATP4B P51164 3/20 0.35
TRAP1 Q12931 2/20 0.35
HSP90AB1 P08238 2/20 0.35
SHMT2 P34897 1/20 0.35
HSP90B1 P14625 1/20 0.35
MAOA P21397 1/20 0.34
BRS3 P32247 2/20 0.34
DDAH1 O94760 2/20 0.34
ENGASE Q8NFI3 2/20 0.34
SARM1 Q6SZW1 1/20 0.34
IDO2 Q6ZQW0 1/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33

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 SCHEMBL28303939 0.98 AGXT (0.52) AGXTPDE10AHSP90AA1KMT2AWDR5
SCHEMBL29039529 0.98 AGXT (0.52) AGXTPDE10AHSP90AA1KMT2AWDR5
SCHEMBL29736023 0.98 AGXT (0.52) AGXTPDE10AHSP90AA1KMT2AWDR5
SCHEMBL16921630 0.83 AGXT (0.46) AGXTPDE10AHSP90AA1KMT2AWDR5
SCHEMBL13015490 0.81 AGXT (0.44) AGXTPDE10AHSP90AA1HSP90AB1MAOA
SCHEMBL9688407 0.79 ACHE (0.39) AGXTKMT2AMAOAKDM4EALDH1A1
SCHEMBL7845798 0.79 AGXT (0.52) AGXTPDE10AHSP90AA1KMT2AWDR5
SCHEMBL1674711 0.77 AGXT (0.46) AGXTHSP90AA1KMT2ATRAP1HSP90AB1
SCHEMBL2740251 0.77 AGXT (0.42) AGXTMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL192172 0.77 AGXT (0.42) AGXTHSP90AA1KMT2ATRAP1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
CN-112229920-B Method for detecting potential genotoxic impurities of esomeprazole sodium 海南中玉药业有限公司 2022-10-21 CN claimed
CN-110317164-B Preparation method of omeprazole intermediate 抚州三和医药化工有限公司 2022-08-19 CN claimed
CN-110041307-B Preparation method of esomeprazole thioether intermediate 江苏豪森药业集团有限公司 2021-12-17 CN claimed
CN-110041307-A The preparation method of esomeprazole sulfide intermediate 江苏豪森药业集团有限公司 2019-07-23 CN claimed
CN-103204841-B Omeprazole sodium and preparation method CHENGDU TIANTAISHAN PHARMACEUTICAL CO LTD 2014-06-25 CN claimed
CN-103204841-A Omeprazole sodium and preparation method CHENGDU TIANTAISHAN PHARMACEUTICAL CO LTD 2013-07-17 CN claimed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US claimed
EP-2273882-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES Poniard Pharmaceuticals, Inc. (US) 2011-01-19 EP claimed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 WO claimed
CN-101486706-A Omeprazole sodium compound and method for synthesizing the same JUJUAN DENG (CN) 2009-07-22 CN claimed
EP-1556370-B1 METHOD FOR THE SYNTHESIS OF A BENZIMIDAZOLE COMPOUND ASTRAZENECA AB (SE) 2008-06-11 EP claimed
EP-4289425-A2 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS Tseng, Yufeng, Jane (US) 2023-12-13 EP disclosed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
CN-112229920-B Method for detecting potential genotoxic impurities of esomeprazole sodium 海南中玉药业有限公司 2022-10-21 CN disclosed
EP-0484265-A1 A process for the preparation of omeprazol CENTRO GENESIS PARA LA INVESTIGACION, S.L. (ES) 1992-05-06 EP disclosed
EP-0369208-A1 Process for the preparation of 3,5-dimethyl-4-methoxy pyridine derivatives, and intermediate therefor Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1990-05-23 EP disclosed
US-4785113-A 2,4-dichloro-3,5,6-trimethylpyridine AKTIEBOLAGET HASSLE (SE) 1988-11-15 US disclosed
EP-0226558-A2 Chemical intermediates and methods for their preparation Aktiebolaget Hässle (SE) 1987-06-24 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 AGXT 2149/4885PDE10A 1342/4885HSP90AA1 1418/4885

“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.