SCHEMBL5253245

SCHEMBL5253245

[CH2]c1c(Cl)ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.60
CYP1A2 P05177 6/20 0.52
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 4/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPRT1 P00492 1/20 0.46
PAX8 Q06710 1/20 0.43
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 2/20 0.39
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39
PMP22 Q01453 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38

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
SCHEMBL449348 0.75 CYP2A6 (1.00) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL5673224 0.75 CYP2A6 (0.65) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL16564094 0.75 ALDH1A1 (0.55) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
Ammonia Solution, Strong SCHEMBL11476794 0.73 CYP2A6 (0.95) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL9720422 0.71 CYP2A6 (0.60) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL7483792 0.71 CYP2A6 (0.60) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL5950409 0.71 ALDH1A1 (0.50) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL1243989 0.71 CYP2A6 (0.60) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL21554161 0.71 CYP2A6 (0.60) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL5950469 0.71 ALDH1A1 (0.52) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR

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 33 patents — showing the first 20. 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
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-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE 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
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
EP-1361225-A1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS Sankyo Company, Limited (JP) 2003-11-12 EP disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 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-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 CYP2A6 127/4885CYP1A2 18/4885ALDH1A1 1716/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 CYP2A6 100/4885CYP1A2 49/4885ALDH1A1 1594/4885

“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.