SCHEMBL16987232

SCHEMBL16987232

COc1c(Cl)c(-c2ccc(OCc3c(C4CC4)cccc3-n3nnn(C)c3=O)c(C)c2)nn1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.36
RORC P51449 1/20 0.31
MDM4 O15151 1/20 0.31
MDM2 Q00987 1/20 0.31
MAPK1 P28482 1/20 0.30
MAPK14 Q16539 1/20 0.30
MAPKAPK5 Q8IW41 1/20 0.30

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
SCHEMBL16987248 0.92 NR1H4 (0.34) NR1H4
SCHEMBL16987255 0.92 NR1H4 (0.38) NR1H4RORCMAPK1MAPK14MAPKAPK5
SCHEMBL16910651 0.90 NR1H4 (0.32) NR1H4
SCHEMBL16910830 0.89 NR1H4 (0.32) NR1H4MDM4MDM2
SCHEMBL16911742 0.89 NR1H4 (0.36) NR1H4
SCHEMBL16987282 0.88 NR1H4 (0.37) NR1H4RORC
SCHEMBL16962678 0.88 NR1H4 (0.34) NR1H4
SCHEMBL16920741 0.87 NR1H4 (0.31) NR1H4
SCHEMBL16999022 0.87 NR1H4 (0.35) NR1H4
SCHEMBL16987286 0.86 NR1H4 (0.36) NR1H4RORC

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-2900654-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-17 EP disclosed
US-9554576-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-31 US disclosed
US-9554576-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-31 US disclosed
US-9554576-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-31 US disclosed
US-20160183529-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-30 US disclosed
US-20160183529-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-30 US disclosed
US-20160183529-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-30 US disclosed
US-9314023-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-9314023-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-9314023-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20150223460-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-13 US disclosed
US-20150223460-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-13 US disclosed
US-20150223460-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-13 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-20150223460-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES CYCS, MT-CO3, OXER1 NR1H4 1529/4885RORC 866/4885MDM4 3521/4885
US-20160183529-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES CYP51A1, TCOF1, DDT NR1H4 2515/4885RORC 1552/4885MDM4 4309/4885

“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.