SCHEMBL11617238

SCHEMBL11617238

Sc1ccc2c(Cl)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.54
▸ CYP2A6 P11509 3/20 0.54
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.36
▸ NR4A2 P43354 2/20 0.35
▸ AHR P35869 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ERBB2 P04626 1/20 0.32
▸ FYN P06241 1/20 0.32

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
SCHEMBL30366437 0.77 CYP1A2 (0.58) CYP1A2CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL30772980 0.77 CYP1A2 (0.35) CYP1A2CYP2A6HSD17B1HSD17B2ALDH1A1
SCHEMBL30366566 0.77 CYP1A2 (0.58) CYP1A2CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL1780245 0.77 CYP1A2 (0.58) CYP1A2CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL7756731 0.77 CYP1A2 (0.35) CYP1A2CYP2A6HSD17B1HSD17B2ALDH1A1
SCHEMBL25412417 0.77 CYP1A2 (0.35) CYP1A2CYP2A6HSD17B1HSD17B2ALDH1A1
SCHEMBL29972350 0.76 CYP2A6 (0.62) CYP1A2CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL5668937 0.76 CYP2A6 (0.62) CYP1A2CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL15351997 0.76 CYP2A6 (0.50) CYP1A2CYP2A6CYP2C19ALDH1A1MEN1
SCHEMBL9718638 0.74 PLAU (0.59) CYP1A2HSD17B1HSD17B2IDO1

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 11 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-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
US-4097669-A FUNGICIDES, BACTERICIDES, INSECTICIDES, ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-06-27 — — 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 (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 CYP1A2 18/4885CYP2A6 127/4885CYP3A4 35/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 CYP1A2 49/4885CYP2A6 100/4885CYP3A4 67/4885

“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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