SCHEMBL17529613

SCHEMBL17529613

CCOc1[c]ccc(C#N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.36
NQO1 P15559 2/20 0.34
MAPT P10636 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 5/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SQOR Q9Y6N5 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
GLA P06280 1/20 0.33
PDE3A Q14432 1/20 0.32
GAA P10253 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL17529618 0.80 NQO1 (0.42) NQO1MAPTALDH1A1KDM4EHPGD
SCHEMBL17529647 0.76 NQO1 (0.33) NQO1KMT2A
SCHEMBL2885675 0.74 NQO1 (0.34) NQO1SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL23674802 0.74 NQO1 (0.34) NQO1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL4463630 0.74 MAPK8 (0.37) NQO1MAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL9987806 0.73 PDE3A (0.41) CTSSMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL17529638 0.73 NQO1 (0.33) NQO1L3MBTL1
SCHEMBL17529636 0.73 ADORA2A (0.35) NQO1SMN1; SMN2HPGD
SCHEMBL2888774 0.71 GRM5 (0.36) NQO1
SCHEMBL2885102 0.70 NCF1 (0.32) NQO1MAPTSMN1; SMN2ALDH1A1KDM4E

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-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
US-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US 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 (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-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, SOD1, MT-CO2 CTSS 1631/4885NQO1 541/4885MAPT 2738/4885

“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.