SCHEMBL6404403

SCHEMBL6404403

[CH2]c1cccc2cc(Br)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ERN1 O75460 1/20 0.38
DAO P14920 1/20 0.38
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
PLAU P00749 1/20 0.35
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
AHR P35869 2/20 0.33
NR4A2 P43354 1/20 0.33
MAPK1 P28482 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL11855590 0.83 CYP2A6 (0.48) CYP2A6MEN1KMT2ARXFP1ALDH1A1
SCHEMBL6129310 0.77 CYP2A6 (0.52) CYP2A6MEN1KMT2ARXFP1ERN1
SCHEMBL1461517 0.77 CYP2A6 (0.52) CYP2A6MEN1KMT2ARXFP1ERN1
SCHEMBL29656897 0.77 CYP2A6 (0.52) CYP2A6MEN1KMT2ARXFP1ERN1
SCHEMBL30366175 0.77 CYP2A6 (0.52) CYP2A6MEN1KMT2ARXFP1ERN1
SCHEMBL30457989 0.77 CYP2A6 (0.52) CYP2A6MEN1KMT2ARXFP1ERN1
SCHEMBL20071443 0.76 CYP2A6 (0.50) CYP2A6MEN1KMT2ARXFP1ERN1
SCHEMBL15352099 0.76 CYP2A6 (0.44) CYP2A6MEN1KMT2ARXFP1ALDH1A1
SCHEMBL5781832 0.74 CYP2A6 (0.48) CYP2A6MEN1KMT2ARXFP1ERN1
SCHEMBL556218 0.74 CYP2A6 (0.48) CYP2A6MEN1KMT2ARXFP1ERN1

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 17 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
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-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-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
WO-2013162077-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
US-20050049232-A1 Composition LINDAU PAR (SE) 2005-03-03 US disclosed
EP-1463483-A1 NEW COMPOSITION Ponsus Pharma AB (SE) 2004-10-06 EP disclosed
WO-2003055454-A1 NEW COMPOSITION PONSUS PHARMA AB (SE) 2003-07-10 WO disclosed
EP-0187854-A4 SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION. BAZZANO GAIL S 1987-01-22 EP disclosed
EP-0187854-A1 SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION BAZZANO, Gail S (US) 1986-07-23 EP disclosed
WO-1986000616-A1 SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION BAZZANO GAIL SANSONE 1986-01-30 WO disclosed
US-3998827-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1976-12-21 US 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-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 CYP2A6 127/4885MEN1 2694/4885KMT2A 3723/4885
US-20050049232-A1 Composition CUTA, LIPG, LIPA CYP2A6 589/4885MEN1 685/4885KMT2A 4126/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 CYP2A6 100/4885MEN1 2990/4885KMT2A 3524/4885

“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.