SCHEMBL17529618

SCHEMBL17529618

COc1[c]ccc(C#N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.42
HPGDS O60760 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ADORA1 P30542 2/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
HPGD P15428 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
USP8 P40818 2/20 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
SCHEMBL17529613 0.80 CTSS (0.36) NQO1HPGDSKDM4EMAPTALDH1A1
SCHEMBL17529647 0.80 NQO1 (0.33) NQO1KMT2A
SCHEMBL19742933 0.75 SOS2 (0.33) NQO1SOS2
SCHEMBL4756829 0.74
SCHEMBL1638184 0.71
SCHEMBL315179 0.71 POLB (0.33) KDM4EKMT2AL3MBTL1TDP1POLB
SCHEMBL1464459 0.71
SCHEMBL17529617 0.69
SCHEMBL17529634 0.69
SCHEMBL16741211 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
EP-3029038-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2019-03-27 EP disclosed
EP-3112350-B1 METHOD FOR PRODUCING PYRAZOLE COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-9781933-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-10 US disclosed
US-9624177-B2 Method for producing pyrazole compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-18 US disclosed
US-20170008853-A1 METHOD FOR PRODUCING PYRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-12 US disclosed
EP-3112350-A1 METHOD FOR PRODUCING PYRAZOLE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-01-04 EP disclosed
US-20160174558-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-23 US disclosed
EP-3029038-A1 TETRAZOLINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company Limited (JP) 2016-06-08 EP disclosed
US-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US disclosed
EP-2990404-A1 TETRAZOLINONE COMPOUND AND USE OF SAME Sumitomo Chemical Company Limited (JP) 2016-03-02 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 (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-20170008853-A1 METHOD FOR PRODUCING PYRAZOLE COMPOUND CBR3, POR, CBR1 NQO1 61/4885HPGDS 515/4885KDM4E 4569/4885
US-20160174558-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MT-CO1, KCNA5, MT-CO2 NQO1 711/4885HPGDS 4476/4885KDM4E 2475/4885
US-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, SOD1, MT-CO2 NQO1 541/4885HPGDS 4491/4885KDM4E 2422/4885

“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.