SCHEMBL3540534

SCHEMBL3540534

C[Si](C)(C)C#Cc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.47
HDAC8 Q9BY41 1/20 0.44
FFAR1 O14842 1/20 0.36
DDAH1 O94760 1/20 0.36
NOS1 P29475 1/20 0.36
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CG P48736 1/20 0.35
PDK1 Q15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CHRM2 P08172 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CHRM5 P08912 1/20 0.33
CHKA P35790 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL31510376 0.86 GRM5 (0.50) GRM5LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL1306384 0.84 GABRA1 (0.38) GRM5LMNAMAPTALDH1A1CYP1A2
SCHEMBL1306505 0.81 APP (0.41) GRM5LMNAMAPTALDH1A1CYP1A2
SCHEMBL1820120 0.78 HDAC8 (0.58) GRM5HDAC8FFAR1DDAH1NOS1
SCHEMBL563613 0.77 APP (0.55) GRM5MTORLMNAMAPTALDH1A1
SCHEMBL2854252 0.77 CYP1A1 (0.44) GRM5CYP1A2
Methyl Alcohol SCHEMBL28280712 0.76 GRM5 (0.52) GRM5HDAC8FFAR1PIK3CAMTOR
SCHEMBL1649302 0.75 HDAC8 (0.55) GRM5HDAC8FFAR1PIK3CAMTOR
Diphenylacetylene SCHEMBL3842452 0.75 APP (0.60) GRM5FFAR1MTORLMNAMAPT
SCHEMBL19174201 0.75 CYP1A1 (0.48) GRM5MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118878849-A Method for preparing higher-order cyclic type cable hydrocarbon supermolecular compound 安徽工业大学 2024-11-01 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-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
US-20250066349-A1 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2025-02-27 US disclosed
CN-118878849-A Method for preparing higher-order cyclic type cable hydrocarbon supermolecular compound 安徽工业大学 2024-11-01 CN disclosed
EP-4444420-A2 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Prothena Biosciences Limited (IE) 2024-10-16 EP disclosed
US-11970499-B1 Pyrazolo[1,5-c]pyrimidine compounds as CK2 inhibitors King Faisal University (SA) 2024-04-30 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
US-20230192699-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS Gritscience Biopharmaceuticals Co., Ltd. (CN) 2023-06-22 US disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED 2004-08-19 US disclosed
WO-2004041201-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-05-21 WO disclosed
WO-2003091227-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO disclosed
EP-1319231-A1 PROGRAMMABLE MOLECULAR DEVICE Wm. MARSH RICE UNIVERSITY (US) 2003-06-18 EP disclosed
US-20030058697-A1 Programmable molecular device NAVY, SECRETARY OF THE, UNITED STATES OF AMERICA OFFICE OF NAVAL RESEARCH 2003-03-27 US disclosed
WO-2002009117-A1 PROGRAMMABLE MOLECULAR DEVICE WM. MARSH RICE UNIVERSITY (US) 2002-01-31 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 (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-20250066349-A1 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS DYRK2, DYRK1A, PYGB GRM5 379/4885HDAC8 1793/4885FFAR1 3875/4885
US-11970499-B1 Pyrazolo[1,5-c]pyrimidine compounds as CK2 inhibitors CDK2, TK1, CDK1 GRM5 2729/4885HDAC8 2768/4885FFAR1 4200/4885
US-20230192699-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS CSNK2A3, CSNK1A1, CSNK1G3 GRM5 3287/4885HDAC8 915/4885FFAR1 2856/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 GRM5 4520/4885HDAC8 971/4885FFAR1 2929/4885

“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.