SCHEMBL7772437

SCHEMBL7772437

CCOc1[c]ccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
NQO1 P15559 1/20 0.35
CYP2A6 P11509 1/20 0.34
GLA P06280 1/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.32
S1PR1 P21453 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GRM5 P41594 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL27826907 0.85 HPGD (0.40) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL15352734 0.82 NQO1 (0.35) NQO1
SCHEMBL724609 0.79 AR (0.37) CYP2A6KDM4EALDH1A1GPR35
SCHEMBL27924278 0.77 MAOB (0.54) GABRG2GABRB3GABRA5GABRA3GAA
SCHEMBL3048684 0.76 LTA4H (0.38) NQO1GLAGAAMAPTKDM4E
SCHEMBL17529630 0.75 MGLL (0.33) GLA
SCHEMBL2376749 0.74 SLC6A2 (0.42) KMT2A
SCHEMBL128388 0.73 NQO1 (0.46) NQO1MAPTLMNATP53KDM4E
SCHEMBL11513183 0.73 NQO1 (0.36) NQO1MAPTSMN1; SMN2LMNATP53
SCHEMBL1273724 0.73 TRPV4 (0.40) TRPV4GABRG2GABRB3GABRA5GABRA3

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 6 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
EP-1115700-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AG (DE) 2001-07-18 EP disclosed
WO-2000017157-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-30 WO 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 TRPV4 2243/4885GABRG2 2177/4885GABRB3 2812/4885

“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.