SCHEMBL17751246

SCHEMBL17751246

Cc1cc(-c2cncnc2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.56
▸ HSD17B1 P14061 9/20 0.52
▸ HSD17B2 P37059 9/20 0.52
▸ FGFR1 P11362 1/20 0.51
▸ ESR2 Q92731 3/20 0.50
▸ TP53 P04637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ESR1 P03372 3/20 0.44
▸ AR P10275 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.42
▸ CYP17A1 P05093 1/20 0.41
▸ HSD17B14 Q9BPX1 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL12117595 0.84 ERN1 (0.51) ERN1
SCHEMBL29696046 0.82 HSD17B1 (0.68) HSD17B1HSD17B2FGFR1ESR2TP53
SCHEMBL272034 0.82 HSD17B1 (0.68) HSD17B1HSD17B2FGFR1ESR2TP53
SCHEMBL26979937 0.82 HSD17B1 (0.68) HSD17B1HSD17B2FGFR1ESR2TP53
SCHEMBL29429121 0.82 HSD17B1 (0.68) HSD17B1HSD17B2FGFR1ESR2TP53
SCHEMBL15433023 0.81 CYP19A1 (0.44) ERN1TDP1CYP3A4
Hydrogen Sulfide SCHEMBL22042810 0.80 HSD17B1 (0.65) HSD17B1HSD17B2FGFR1ESR2TP53
Hydrogen Sulfide SCHEMBL6269773 0.80 HSD17B1 (0.65) HSD17B1HSD17B2FGFR1ESR2TP53
SCHEMBL3811825 0.80 HSD17B1 (0.72) HSD17B1HSD17B2FGFR1ESR2TP53
SCHEMBL13589555 0.80 HSD17B1 (0.72) HSD17B1HSD17B2FGFR1ESR2TP53

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-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 — — EP disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 — — US disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 — — US disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 — — US disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 — — US disclosed
EP-3020715-A1 TETRAZOLINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company Limited (JP) 2016-05-18 — — EP 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-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SOD1, UQCRB, MT-CO1 ERN1 1660/4885HSD17B1 1419/4885HSD17B2 2000/4885

“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.

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