SCHEMBL457506

SCHEMBL457506

Ic1c[c]cc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ CYP2A6 P11509 4/20 0.38
▸ TSHR P16473 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP1A2 P05177 3/20 0.36
▸ HPRT1 P00492 1/20 0.35
▸ NQO2 P16083 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ KEAP1 Q14145 1/20 0.31

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
SCHEMBL4474923 0.73 CYP1A2 (0.54) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL7834664 0.73 NOS1 (0.31) —
SCHEMBL2252185 0.71 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL455834 0.71 HPRT1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL456099 0.71 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL455474 0.71 CYP2A6 (0.52) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL148866 0.71 CYP2A6 (0.52) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL12344949 0.69 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29416306 0.69 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL150739 0.69 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020246329-A1 METHOD FOR PRODUCING β-KETOSULFONE COMPOUND 住友化学株式会社 2020-12-10 — — WO disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 — — EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 — — EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 — — EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 — — US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 — — US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 — — US disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 — — EP disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 — — US disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 — — WO disclosed
EP-0621273-B1 NOVEL SULFONIC ACIDE DERIVATIVE AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 1998-12-09 — — EP disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 — — US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 — — US disclosed
CN-1157288-A Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1997-08-20 — — CN disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 — — US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 — — EP disclosed
CN-1118781-A Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 1996-03-20 — — CN disclosed
US-5496849-A THROMBOXANE A2 RECEPTOR ANTAGONISTS TORAY INDUSTRIES, INC. (JP) 1996-03-05 — — US disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 — — EP disclosed
EP-0621273-A1 NOVEL SULFONIC ACIDE DERIVATIVE AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-10-26 — — 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 (2 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-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 ALDH1A1 482/4885HSD17B10 620/4885CYP2A6 47/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 ALDH1A1 482/4885HSD17B10 620/4885CYP2A6 47/4885

“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.

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