SCHEMBL17614531

SCHEMBL17614531

Cc1cccc(-n2nnn(C)c2=O)c1COc1cccc(-c2cccnc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.39
GRM5 P41594 2/20 0.38
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KARS1 Q15046 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PDE10A Q9Y233 2/20 0.34
GABRA5 P31644 2/20 0.34
SGMS2 Q8NHU3 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE2A O00408 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL16205960 0.90 HTR7 (0.34) KDM4EPDE10ACYP11B1CYP11B2HTR7
SCHEMBL16205996 0.90 GABRA5 (0.36) GRM5ALDH1A1PDE10AGABRA5HTR7
SCHEMBL17614527 0.87 GRM2 (0.36) ALDH1A1GABRA5HTR7
SCHEMBL16206095 0.87 HTR7 (0.34) MAPTCYP11B1CYP11B2HTR7
SCHEMBL16206102 0.86 MEN1 (0.34) KDM4EALDH1A1HTTCYP11B1CYP11B2
SCHEMBL16206085 0.86 FGFR1 (0.40) HTR7
SCHEMBL16206096 0.86 GABRA5 (0.35) GRM5KDM4EMAPTALDH1A1GABRA5
SCHEMBL16205991 0.85 GABRA5 (0.35) GRM5KDM4EMAPTALDH1A1GABRA5
SCHEMBL17614537 0.85 HTR7 (0.33) MAPTLMNACYP11B1CYP11B2HTR7
SCHEMBL16206004 0.85 HTR7 (0.33) KDM4EMAPTALDH1A1GABRA5CYP11B1

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 5 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-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
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 CYP2A6 144/4885GRM5 2162/4885KDM4E 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.