SCHEMBL2795902

SCHEMBL2795902

C[Si](C)(C)C#Cc1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.47
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 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
SCHEMBL3614755 0.85 GRM5 (0.39) GRM5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1375869 0.80 GRM5 (0.53) GRM5ALDH1A1MAPK1
SCHEMBL29779956 0.80 GRM5 (0.53) GRM5ALDH1A1MAPK1
SCHEMBL26988477 0.79 GRM5 (0.44) GRM5ALDH1A1MAPK1GABRA1GABRG2
SCHEMBL18704185 0.79 LOX (0.31)
SCHEMBL23867871 0.78 APP (0.50) GRM5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3347354 0.78 GRM5 (0.56) GRM5SMN1; SMN2GABRA1GABRG2GABRB3
SCHEMBL31349195 0.78 GRM5 (0.56) GRM5SMN1; SMN2GABRA1GABRG2GABRB3
SCHEMBL4737005 0.77 GRM5 (0.49) GRM5ALDH1A1MAPK1NPC1RAB9A
SCHEMBL4769651 0.77 GRM5 (0.47) GRM5ALDH1A1MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119490480-A Isophenyl bridged alkynyl pyrazole pyridine derivative and preparation method and application thereof 北京工业大学 2025-02-21 CN claimed
CN-117659017-B TRPML1/2 modulator compound, pharmaceutical composition, preparation method and application thereof 北京华益健康药物研究中心 2026-05-15 CN disclosed
CN-119490480-A Isophenyl bridged alkynyl pyrazole pyridine derivative and preparation method and application thereof 北京工业大学 2025-02-21 CN disclosed
CN-117659017-A TRPML1/2 modulator compound, pharmaceutical composition, preparation method and application thereof 北京华益健康药物研究中心 2024-03-08 CN disclosed
WO-2024002379-A1 COMPOUND USED AS WDR5 INHIBITOR OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE OF COMPOUND 甘李药业股份有限公司 2024-01-04 WO disclosed
US-20230183203-A1 ANTIBACTERIAL COMPOUNDS THE PENN STATE RESEARCH FOUNDATION 2023-06-15 US disclosed
US-20230183203-A1 ANTIBACTERIAL COMPOUNDS THE PENN STATE RESEARCH FOUNDATION 2023-06-15 US disclosed
US-11634447-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-25 US disclosed
EP-4157265-A1 ANTIBACTERIAL COMPOUNDS THE PENN STATE RESEARCH FOUNDATION (US) 2023-04-05 EP disclosed
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMA (US) 2022-05-05 US disclosed
US-5645809-A ELECTRODES OHIO STATE UNIVERSITY (US) 1997-07-08 US disclosed
US-5453169-A Particle sizes for electrodes THE OHIO STATE UNIVERSITY (US) 1995-09-26 US disclosed
WO-1994019515-A1 GLASSY CARBON CONTAINING METAL PARTICLES THE OHIO STATE UNIVERSITY (US) 1994-09-01 WO disclosed
US-5329036-A (alpha, omega)phenylethynyl siloxane monomers, oligomers, and polymers thereof HUGHES AIRCRAFT COMPANY (US) 1994-07-12 US disclosed
US-5329036-A (alpha, omega)phenylethynyl siloxane monomers, oligomers, and polymers thereof HUGHES AIRCRAFT COMPANY (US) 1994-07-12 US disclosed
EP-0585590-A1 (Alpha, omega) phenylethynyl siloxane monomers, oligomers, and polymers thereof Hughes Aircraft Company (US) 1994-03-09 EP disclosed
EP-0585590-A1 (Alpha, omega) phenylethynyl siloxane monomers, oligomers, and polymers thereof Hughes Aircraft Company (US) 1994-03-09 EP disclosed
US-4912097-A Novel 11 β-alkynylphenyl-10-nor-steroids ROUSSEL UCLAF (FR) 1990-03-27 US disclosed
EP-0245170-B1 19-NOR OR 19-NOR D-HOMO STEROIDS SUBSTITUTED AT POSITION 11 BETA BY A PHENYL GROUP SUBSTITUTED BY AN ALKYNYL GROUP, PROCESS FOR THEIR PREPARATION, THEIR USE IN MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1989-11-29 EP disclosed
EP-0245170-A1 19-Nor or 19-nor D-homo steroids substituted at position 11 beta by a phenyl group substituted by an alkynyl group, process for their preparation, their use in medicaments and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1987-11-11 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 (3 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-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 GRM5 2033/4885ALDH1A1 1603/4885MAPK1 614/4885
US-20230183203-A1 ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, SPOUT1 GRM5 4698/4885ALDH1A1 3840/4885MAPK1 4003/4885
US-11634447-B2 Mannose derivatives for treating bacterial infections MPI, MANBA, MAN2A1 GRM5 2033/4885ALDH1A1 1603/4885MAPK1 614/4885

“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.