SCHEMBL7307773

SCHEMBL7307773

[O]c1cc(Br)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ACP1 P24666 1/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ TRPM4 Q8TD43 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ NQO2 P16083 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
SCHEMBL11942308 0.77 ACP1 (0.41) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL29524488 0.76 CYP2A6 (0.48) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL29434773 0.76 CYP2A6 (0.48) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL3103031 0.76 CYP2A6 (0.48) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL15352085 0.76 CYP2A6 (0.48) CYP2A6ALDH1A1MEN1KMT2ARXFP1
SCHEMBL7305016 0.74 CYP1A2 (0.46) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL7304408 0.74 PTPN1 (0.39) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL27994482 0.74 CYP2A6 (0.41) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL80491 0.73 ALDH1A1 (0.52) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL6602218 0.73 CYP1A2 (0.61) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 — — EP disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 — — US disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 — — EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 — — US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 — — US disclosed
CN-105764885-A Acid- and radical-generating agent and method for generating acid and radical 和光纯药工业株式会社 2016-07-13 — — CN disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 — — US disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 — — EP disclosed
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 — — EP disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 — — US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 — — US disclosed
WO-2013162077-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 — — WO disclosed
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 — — WO disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 — — US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 — — 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 (4 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CYP2A6 375/4885ALDH1A1 151/4885HSD17B10 339/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 CYP2A6 127/4885ALDH1A1 1716/4885HSD17B10 71/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CYP2A6 375/4885ALDH1A1 151/4885HSD17B10 339/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 CYP2A6 100/4885ALDH1A1 1594/4885HSD17B10 141/4885

“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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