SCHEMBL5950409

SCHEMBL5950409

[CH2]c1c(Br)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
CYP2A6 P11509 6/20 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
POLB P06746 2/20 0.45
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CYP1A2 P05177 5/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
PAX8 Q06710 1/20 0.38
HPGD P15428 2/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DNMT1 P26358 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL1187756 0.75 POLB (0.60) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL16564094 0.75 ALDH1A1 (0.55) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL1239327 0.75 ALDH1A1 (0.55) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL30361992 0.75 ALDH1A1 (0.55) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL15453239 0.71 ALDH1A1 (0.50) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL6828345 0.71 POLB (0.56) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL5253245 0.71 CYP2A6 (0.60) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL5950469 0.71 ALDH1A1 (0.52) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL1402293 0.71 ALDH1A1 (0.50) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL3258973 0.71 PTPN22 (0.60) ALDH1A1CYP2A6HSD17B10TSHRTDP1

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-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-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-20060241132-A1 Spiro derivatives and adhesion molecule inhibitors comprising the same as active ingredient TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2006-10-26 US disclosed
EP-1489081-A1 SPIRO DERIVATIVES AND ADHESION MOLECULE INHIBITORS COMPRISING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2004-12-22 EP disclosed
US-4098896-A FUNGICIDES CHEVRON RESEARCH COMPANY (US) 1978-07-04 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 ALDH1A1 1716/4885CYP2A6 127/4885HSD17B10 71/4885
US-20060241132-A1 Spiro derivatives and adhesion molecule inhibitors comprising the same as active ingredient VCAM1, SELL, ICAM1 ALDH1A1 73/4885CYP2A6 1185/4885HSD17B10 679/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 ALDH1A1 1594/4885CYP2A6 100/4885HSD17B10 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.