SCHEMBL17614528

SCHEMBL17614528

CCc1cccc(-n2nnn(C)c2=O)c1COc1cccc(-c2ccc(C)cc2)n1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.31
GRM2 Q14416 1/20 0.30
TRPA1 O75762 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL17614556 0.91 GABRG2 (0.33) BTKCYP11B1CYP11B2
SCHEMBL17615159 0.90 ALDH1A1 (0.35) MAPTSMN1; SMN2
SCHEMBL16206095 0.90 HTR7 (0.34) GRM2MAPTSMN1; SMN2CYP11B1CYP11B2
SCHEMBL17614554 0.88 MAPT (0.39) GRM2MAPTSMN1; SMN2CYP11B1CYP11B2
SCHEMBL17811650 0.87 ADORA3 (0.31)
SCHEMBL17614526 0.85 HSD11B1 (0.32) CYP11B1CYP11B2
SCHEMBL16205996 0.83 GABRA5 (0.36)
SCHEMBL17615143 0.83 ADORA2A (0.35) BTKMAPTSMN1; SMN2
SCHEMBL16205954 0.83 HTR7 (0.36)
SCHEMBL16206004 0.82 HTR7 (0.33) TRPA1MAPTCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 BTK 2729/4885GRM2 1188/4885TRPA1 306/4885

“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.