Sugi Predict

Sugi Predict / Compounds / SCHEMBL18704243

SCHEMBL18704243

SCHEMBL18704243

N#CCC(O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.47
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ GABBR2 O75899 1/20 0.37
▸ GABBR1 Q9UBS5 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL23209157 1.00 AOC3 (0.47) AOC3ESR1ESR2GAAGABBR2
SCHEMBL18704051 0.83 ESR1 (0.38) AOC3ESR1ESR2TDP1ALDH1A1
SCHEMBL31228676 0.80 AOC3 (0.37) AOC3ESR1ESR2GABBR2GABBR1
SCHEMBL31228656 0.80 AOC3 (0.37) AOC3ESR1ESR2GABBR2GABBR1
SCHEMBL4977775 0.79 ESR1 (0.42) ESR1ESR2GAAHIF1ATDP1
SCHEMBL23237307 0.79 ESR1 (0.42) ESR1ESR2GAAHIF1ATDP1
SCHEMBL24681202 0.79 ESR1 (0.38) ESR1ESR2TSHRHIF1ATDP1
SCHEMBL4977780 0.79 ESR1 (0.42) ESR1ESR2GAAHIF1ATDP1
SCHEMBL2547851 0.79 IGF1R (0.38) ESR1ESR2
SCHEMBL23237367 0.79 AOC3 (0.47) AOC3ESR1ESR2GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743459-A1 BICYCLIC AND MONOCYCLIC TRPA1 INHIBITORS D.E. Shaw Research, LLC (US) 2026-05-20 — — EP disclosed
US-20250270198-A1 PYRIDONE COMPOUNDS AS TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC 2025-08-28 — — US disclosed
US-20250154139-A1 PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC 2025-05-15 — — US disclosed
US-20250136587-A1 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC 2025-05-01 — — US disclosed
WO-2025014922-A1 BICYCLIC AND MONOCYCLIC TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC (US) 2025-01-16 — — WO disclosed
US-12180223-B2 3H,4H-thieno[2,3-d]pyrimidin-4-one derivatives as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-12-31 — — US disclosed
EP-4323368-B1 3H,4H,5H,6H,7H-PYRIMIDO[4,5-B][1,4]OXAZINE-4,6-DIONE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-12-25 — — EP disclosed
EP-4472627-A2 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D.E. Shaw Research, LLC (US) 2024-12-11 — — EP disclosed
EP-4472624-A2 PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS D.E. Shaw Research, LLC (US) 2024-12-11 — — EP disclosed
EP-4323367-A1 3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE DERIVATIVES AS TRPA1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2024-02-21 — — EP disclosed
US-20210107918-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 — — US disclosed
US-20210107918-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 — — US disclosed
WO-2017060488-A1 NEW TRPA1 ANTAGONISTS ALMIRALL, S.A. (ES) 2017-04-13 — — WO disclosed
CN-106132968-A Bromodomain-inhibiting compound for preventing or treating cancer and pharmaceutical composition containing the same 康佳诺医疗科技发展有限公司 2016-11-16 — — CN disclosed
CN-102666525-B Fluoro-substituted 2-aryl-3,5-dicyano-4-indazolyl-6-methyl-1,4-dihydropyridines and uses thereof BAYER IP GMBH 2015-01-28 — — CN disclosed
CN-102015708-B Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC 2014-03-26 — — CN disclosed
CN-100564366-C Has 1 of weeding activity, the 3-derovatives ISAGRO RICERCA SRL (IT) 2009-12-02 — — CN disclosed
CN-101534828-A Allosteric modulators of the A1 adenosine receptor KING PHARMACEUTICALS RES & DEV (US) 2009-09-16 — — CN disclosed
CN-101370501-A Novel azacycly-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI AVENTIS (FR) 2009-02-18 — — CN disclosed
CN-1882552-A Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA SRL (IT) 2006-12-20 — — CN 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 (5 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-20210107918-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 AOC3 1097/4885ESR1 3304/4885ESR2 2207/4885
US-12180223-B2 3H,4H-thieno[2,3-d]pyrimidin-4-one derivatives as TRPA1 inhibitors TRPA1, TRPV1, TRPV3 AOC3 1130/4885ESR1 2852/4885ESR2 2041/4885
US-20250136587-A1 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS TRPA1, TRPV1, SLC28A1 AOC3 829/4885ESR1 3235/4885ESR2 4215/4885
US-20250154139-A1 PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 AOC3 998/4885ESR1 3570/4885ESR2 3684/4885
US-20250270198-A1 PYRIDONE COMPOUNDS AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV6 AOC3 2978/4885ESR1 3833/4885ESR2 3926/4885

“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.