SCHEMBL445793

SCHEMBL445793

Cc1cccc2o[c]cc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.44
CYP2A6 P11509 3/20 0.44
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 2/20 0.32
ACHE P22303 1/20 0.32
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5536680 0.75 GABRA1 (0.40) CYP2A6ALDH1A1
SCHEMBL513244 0.74
SCHEMBL767195 0.74 CYP1A2 (0.44) CYP1A2CYP2A6TSHR
SCHEMBL3380112 0.74 CYP2A6 (0.47) CYP2A6ALDH1A1HPGDHSD17B10CA1
SCHEMBL5541316 0.74 GABRA1 (0.39) CYP1A2HPGDCA1CA2TSHR
SCHEMBL18936096 0.71 ALDH1A1 (0.34) ALDH1A1
SCHEMBL5537428 0.70 CYP2A6 (0.51) CYP2A6ALDH1A1HPGDTDP1L3MBTL1
SCHEMBL2094670 0.70 LIPG (0.35) ALDH1A1CYP3A4
SCHEMBL7460822 0.69 ALDH1A1 (0.37) CYP2A6ALDH1A1HPGDHSD17B10TSHR
SCHEMBL1132505 0.68 CYP1A2 (0.36) CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070048637-A1 Arylamine polymer and organic thin film transistor RICOH COMPANY LIMITED (JP) 2007-03-01 US claimed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed
CN-106659161-B Amide compound and its harmful arthropod prevent and kill off purposes 住友化学株式会社 2019-08-02 CN disclosed
US-10251396-B2 Amide compound and use of same for noxious arthropod control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-04-09 US disclosed
US-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-19 US disclosed
EP-3178322-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL Sumitomo Chemical Company Limited (JP) 2017-06-14 EP disclosed
US-9408816-B2 Method of using histone deacetylase inhibitors and monitoring biomarkers in combination therapy PHARMACYCLICS LLC (US) 2016-08-09 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
CN-1204126-C Process for preparing pyridazin-2-one derivs. SUMITOMO CHEMICAL CO (JP) 2005-06-01 CN disclosed
EP-1137641-B1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL CO (JP) 2004-11-10 EP disclosed
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 WO disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
US-6500951-B1 RING CLOSING A CARBOXYLIC ACID DERIVATIVE IN PRESENCE OF A NITROGEN CONTAINING AROMATIC COMPOUND AND A BORON COMPOUND; HIGH YIELD AND PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
CN-1334805-A Process for preparing pyridazin-2-one derivs. SUMITOMO CHEMICAL CO (JP) 2002-02-06 CN disclosed
EP-1137641-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-04 EP disclosed
WO-2000034249-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-15 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 (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-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL OPRM1, TRPA1, L3MBTL3 CYP1A2 1172/4885CYP2A6 1673/4885ALDH1A1 1868/4885
US-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 CYP1A2 628/4885CYP2A6 3427/4885ALDH1A1 1181/4885
US-10251396-B2 Amide compound and use of same for noxious arthropod control OPRM1, TRPA1, L3MBTL3 CYP1A2 1172/4885CYP2A6 1673/4885ALDH1A1 1868/4885

“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.