SCHEMBL536175

SCHEMBL536175

CC(O)c1ccccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ESR2 Q92731 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
HPGD P15428 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
MAOA P21397 1/20 0.36
HTR2B P41595 1/20 0.36
LMNA P02545 1/20 0.36
CASR P41180 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL343227 1.00 TSHR (0.46) TSHRALDH1A1L3MBTL1ESR2MAPK1
SCHEMBL27845866 0.84 ESR2 (0.46) TSHRALDH1A1L3MBTL1ESR2MAPK1
SCHEMBL11604414 0.84 TSHR (0.46) TSHRALDH1A1L3MBTL1ESR2HPGD
SCHEMBL28046789 0.83 TSHR (0.43) TSHRALDH1A1L3MBTL1ESR2MAPK1
SCHEMBL28715842 0.82 TSHR (0.44) TSHRALDH1A1L3MBTL1ESR2HPGD
SCHEMBL29835035 0.82 TSHR (0.50) TSHRALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL254017 0.82 TSHR (0.50) TSHRALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL25409749 0.80 TSHR (0.41) TSHRALDH1A1L3MBTL1ESR2MAPK1
SCHEMBL10470446 0.80 L3MBTL1 (0.44) TSHRALDH1A1L3MBTL1ESR2MAPK1
SCHEMBL84270 0.80 TSHR (0.36) TSHRALDH1A1L3MBTL1ESR2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110835361-A Sialic acid glycosyl donor and preparation method and application thereof 山东大学 2020-02-25 CN claimed
EP-4709725-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Progentos Therapeutics, Inc. (US) 2026-03-18 EP disclosed
WO-2024233642-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PROGENTOS THERAPEUTICS, INC. (US) 2024-11-14 WO disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
EP-3801896-A1 RAPIDLY RELEASED BIOORTHOGONAL CAGING GROUPS University of Utah Research Foundation (US) 2021-04-14 EP disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
CN-110835361-A Sialic acid glycosyl donor and preparation method and application thereof 山东大学 2020-02-25 CN disclosed
CN-104024253-A Heterocyclic amines as PI3K inhibitors INCYTE CORP 2014-09-03 CN disclosed
CN-103874493-A Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME 2014-06-18 CN disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 WO disclosed
EP-1727788-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2010-07-28 EP disclosed
US-7381750-B2 Amino-phenoxymethyl-benzamide opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
US-20070287751-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY 2007-12-13 US disclosed
EP-1727788-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-06 EP disclosed
CN-1274839-C Process for the preparation of enantiomerically enriched esters and alcohols DSM NV (NL) 2006-09-13 CN disclosed
WO-2005090286-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-29 WO disclosed
CN-1430677-A Process for the preparation of enantiomerically enriched esters and alcohols DSM NV (NL) 2003-07-16 CN disclosed
US-5698560-A TREATMENT OF CARDIOVASCULAR DISORDERS; ANTICOAGULANTS; CARDIOTONIC AGENTS; HYPOTENSIVE AGENTS; ARTERIOSCLEROSIS; CYCLIC GMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-12-16 US disclosed
EP-0758653-A1 IMIDAZOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-02-19 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-20070287751-A1 Opioid Receptor Antagonists OPRK1, OPRM1, OPRD1 TSHR 284/4885ALDH1A1 2190/4885L3MBTL1 690/4885

“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.