SCHEMBL2160771

SCHEMBL2160771

C[Si](C)(C)C#Cc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.55
KCNH2 Q12809 1/20 0.48
CYP1A2 P05177 3/20 0.47
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL30107570 1.00 GRM5 (0.55) GRM5KCNH2CYP1A2ALDH1A1MAPT
Methyl Alcohol SCHEMBL28902013 0.83 GRM5 (0.67) GRM5KCNH2CYP1A2ALDH1A1MAPT
SCHEMBL352291 0.83 GRM5 (0.65) GRM5KCNH2CYP1A2
SCHEMBL22548465 0.79 GRM5 (0.49) GRM5KCNH2CYP1A2
SCHEMBL29610604 0.79
SCHEMBL5560365 0.79
SCHEMBL4927688 0.78 GRM5 (0.55) GRM5KCNH2CYP1A2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL22031723 0.77 GRM5 (0.55) GRM5KCNH2CYP1A2ALDH1A1MAPT
SCHEMBL6765951 0.77 GRM5 (0.50) GRM5KCNH2CYP1A2ALDH1A1MAPT
SCHEMBL1010178 0.77 GRM5 (0.50) GRM5KCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111250164-B Preparation method and application of modified MOR molecular sieve catalyst and method for preparing ethylene from coal-based ethanol 中国科学院大连化学物理研究所 2023-04-07 CN claimed
CN-111416154-B Silicon-based pyridine additive for high-voltage lithium ion battery electrolyte, electrolyte and battery 松山湖材料实验室 2021-08-06 CN claimed
CN-113130855-A Surface passivation composition and passivation solution of metal lithium and preparation method of passivation solution 昆山宝创新能源科技有限公司 2021-07-16 CN claimed
CN-111416154-A Silicon-based pyridine additive for high-voltage lithium ion battery electrolyte, electrolyte and battery 松山湖材料实验室 2020-07-14 CN claimed
CN-111250164-A Preparation method and application of modified MOR molecular sieve catalyst, and method for preparing ethylene from coal-based ethanol 中国科学院大连化学物理研究所 2020-06-09 CN claimed
CN-111205336-A Pyridine-bridged double-ruthenium acetylene end group compound and preparation method and application thereof 衡阳师范学院 2020-05-29 CN claimed
CN-111285874-B RET inhibitor, pharmaceutical composition thereof and application thereof 广东东阳光药业股份有限公司 2024-08-09 CN disclosed
US-11827666-B2 Galactoside inhibitor of galectins GALECTO BIOTECH AB (DK) 2023-11-28 US disclosed
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US disclosed
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US disclosed
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US disclosed
EP-4225742-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES Enliven Therapeutics, Inc. (US) 2023-08-16 EP disclosed
CN-111250164-B Preparation method and application of modified MOR molecular sieve catalyst and method for preparing ethylene from coal-based ethanol 中国科学院大连化学物理研究所 2023-04-07 CN disclosed
WO-1998020002-A1 DIPYRIDO[2,3-B:3',2'-F]AZEPINES AND THEIR USE IN THE PREVENTION OR TREATMENT OF HIV INFECTION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-05-14 WO disclosed
US-5639753-A CONTROLLING INSECTS IN AGRICULTURE CROPS FMC CORPORATION (US) 1997-06-17 US disclosed
WO-1997019924-A1 CYCLOHEXYLMETHYL- AND CYCLOHEXYLIDENEMETHYL PYRIDINES, PROCESSES FOR THEIR PRODUCTION, AGENTS CONTAINING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1997-06-05 WO disclosed
WO-1997019923-A1 CYCLOALKYLMETHYL- AND CYCLOALKYLIDENEMETHYL PYRIDINES, PROCESSES FOR THEIR PRODUCTION, AGENTS CONTAINING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1997-06-05 WO disclosed
US-5532367-A LARVICIDES FMC CORPORATION (US) 1996-07-02 US disclosed
US-5521190-A USEFUL AGAINST TOBACCO BUDWORM FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1994027439-A1 INSECTICIDAL PTERIDINES AND 8-DEAZAPTERIDINES FMC CORPORATION (US) 1994-12-08 WO 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-11827666-B2 Galactoside inhibitor of galectins LGALS1, LGALS2, LGALS3 GRM5 1581/4885KCNH2 4653/4885CYP1A2 2716/4885

“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.