SCHEMBL458943

SCHEMBL458943

[c]1ccc2ccccc2c1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ TSHR P16473 3/20 0.37
▸ CYP2A6 P11509 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HPRT1 P00492 2/20 0.34
▸ KDM1A O60341 1/20 0.32
▸ CYP1B1 Q16678 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP1A2 P05177 4/20 0.31
▸ CYP3A4 P08684 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
SCHEMBL11409161 0.91 CYP1B1 (0.39) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL833179 0.71 ADRA2A (0.42) ALDH1A1HPGDMEN1KMT2ACYP2D6
SCHEMBL8669797 0.69 ALDH1A1 (0.34) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL114219 0.69 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL6023032 0.66 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL232744 0.66 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL232693 0.66 CYP2A6 (0.43) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL533954 0.66 CYP1A2 (0.46) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL20507044 0.66 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL219753 0.66 CYP2A6 (0.46) ALDH1A1HSD17B10TSHRCYP2A6TDP1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0835242-A1 THIOAMIDES S-OXIDES FOR USE AS PESTICIDES Novartis AG (CH) 1998-04-15 — — EP disclosed
WO-1997000859-A1 THIOAMIDES S-OXIDES FOR USE AS PESTICIDES NOVARTIS AG (CH) 1997-01-09 — — WO disclosed
EP-0577712-A1 FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-01-12 — — EP disclosed
WO-1992016515-A1 FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-01 — — 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 (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 620/4885TSHR 2629/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 ALDH1A1 482/4885HSD17B10 620/4885TSHR 2629/4885

“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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