SCHEMBL17804243

SCHEMBL17804243

COc1cccc(-n2nnn(C)c2=O)c1COc1nc(C)c(-c2ncc(F)cn2)cc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL6 P05231 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HTR7 P34969 1/20 0.31
SCN9A Q15858 1/20 0.30
PKM P14618 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
ROCK2 O75116 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
CASP7 P55210 1/20 0.30
ATM Q13315 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ATP4A P20648 1/20 0.30
ATP4B P51164 1/20 0.30
PPARG P37231 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
SCHEMBL17811660 0.92 RXRA (0.32) ALDH1A1PPARG
SCHEMBL16437161 0.91 GRM7 (0.32) IL6ALDH1A1HTR7SCN9AAPLNR
SCHEMBL17811659 0.89 PPARG (0.30) PPARG
SCHEMBL17804257 0.84
SCHEMBL16437284 0.84 SMN1; SMN2 (0.35) ALDH1A1HTR7PKMKDM4EHPGD
SCHEMBL17804265 0.83 MDM2 (0.34)
SCHEMBL17811657 0.83 RXRA (0.32) KDM4EHPGDPPARG
SCHEMBL17804239 0.83
SCHEMBL16437158 0.83 CYP3A4 (0.31)
SCHEMBL16437149 0.82

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed
US-9521848-B2 Tetrazolinone compound and use therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-20 US disclosed
US-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
EP-3029035-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 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 (1 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-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR CYP51A1, CYP4F11, CYP1B1 IL6 2142/4885ALDH1A1 811/4885HTR7 1374/4885

“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.