SCHEMBL17614527

SCHEMBL17614527

Cc1cccc(-c2cccc(OCc3c(C)cccc3-n3nnn(C)c3=O)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
KMO O15229 2/20 0.35
XDH P47989 1/20 0.34
HTR7 P34969 1/20 0.33
CTSA P10619 1/20 0.32
GABRA5 P31644 2/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK14 Q16539 1/20 0.31
TDP2 O95551 1/20 0.31
TLR8 Q9NR97 1/20 0.31
BRD4 O60885 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
SCHEMBL16205996 0.91 GABRA5 (0.36) HTR7GABRA5ALDH1A1RAB9AFFAR1
SCHEMBL16206096 0.90 GABRA5 (0.35) KMOHTR7GABRA5MAOAMAOB
SCHEMBL16206095 0.90 HTR7 (0.34) GRM2HTR7CTSASMN1; SMN2
SCHEMBL16206006 0.90 SLC16A3 (0.36) CTSANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL17614552 0.88 KMO (0.37) KMOHTR7
SCHEMBL17614531 0.87 CYP2A6 (0.39) HTR7GABRA5ALDH1A1
SCHEMBL16205960 0.87 HTR7 (0.34) HTR7RAB9ASMN1; SMN2
SCHEMBL17811641 0.87 BRD9 (0.34) GABRA5MAOAMAOBTDP2FFAR1
SCHEMBL17804252 0.87 GRM2 (0.37) GRM2KMOXDHMAOAMAOB
SCHEMBL17614564 0.87 KMO (0.41) GRM2KMOXDHNPC1RAB9A

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 GRM2 1188/4885KMO 1060/4885XDH 231/4885

“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.