SCHEMBL17614599

SCHEMBL17614599

Cc1cccc(-n2nnn(C)c2=O)c1COc1ccc(F)c(-c2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 7/20 0.40
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
FFAR1 O14842 4/20 0.36
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 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
SCHEMBL17614598 0.94 ANO1 (0.40) GYS1GABRG2GABRB3GABRA5FFAR1
SCHEMBL17614597 0.94 GYS1 (0.37) GYS1GABRG2GABRB3GABRA5FFAR1
SCHEMBL16206014 0.94 FFAR1 (0.42) GYS1FFAR1ANO1STIM1ORAI1
SCHEMBL16206009 0.93 FFAR1 (0.37) GYS1FFAR1ANO1FFAR4STIM1
SCHEMBL16205976 0.93 GYS1 (0.42) GYS1GABRG2GABRB3GABRA5FFAR1
SCHEMBL17614596 0.90 FFAR4 (0.37) GYS1GABRG2GABRB3GABRA5FFAR1
SCHEMBL17615188 0.90 GYS1 (0.41) GYS1GABRG2GABRB3GABRA5FFAR4
SCHEMBL17614595 0.90 FFAR1 (0.34) GYS1FFAR1CYP2C9CYP2C19ANO1
SCHEMBL16206015 0.88 FFAR1 (0.41) FFAR1STIM1ORAI1
SCHEMBL16206012 0.88 FFAR1 (0.37) FFAR1ANO1STIM1ORAI1

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 GYS1 1117/4885GABRG2 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.