SCHEMBL17529636

SCHEMBL17529636

CCOc1[c]ccc(Br)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NQO1 P15559 1/20 0.33
HTR7 P34969 1/20 0.31
CCR4 P51679 1/20 0.30
GRM5 P41594 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
SCHEMBL2888774 0.79 GRM5 (0.36) NQO1GRM5
SCHEMBL23674802 0.78 NQO1 (0.34) HPGDSMN1; SMN2NQO1GRM5
SCHEMBL4463630 0.78 MAPK8 (0.37) ADORA2AADORA1SMN1; SMN2NQO1
SCHEMBL2885675 0.78 NQO1 (0.34) HPGDSMN1; SMN2NQO1GRM5
SCHEMBL17529617 0.78
SCHEMBL17529638 0.77 NQO1 (0.33) NQO1
SCHEMBL2885102 0.74 NCF1 (0.32) SMN1; SMN2NQO1
SCHEMBL1273848 0.73 GRM5 (0.39) HPGDNQO1GRM5
SCHEMBL17529613 0.73 CTSS (0.36) HPGDSMN1; SMN2NQO1
SCHEMBL17529642 0.68 MAPK8 (0.35) ADORA2AADORA1NQO1GRM5

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 ADORA2A 4354/4885ADORA1 2958/4885HPGD 3498/4885

“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.