SCHEMBL10314556

SCHEMBL10314556

CCOc1c(C)sc2c(C)c(C)nc(C)c12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL13757232 0.73 MAPK1 (0.34) ELANEMAPK1HSD17B10
SCHEMBL12962743 0.67 — —
SCHEMBL1060667 0.66 ALDH1A1 (0.39) KDM4EHSD17B10
SCHEMBL1062886 0.65 HSD17B10 (0.43) KDM4EHSD17B10
SCHEMBL13757219 0.61 MAPK1 (0.34) ELANEMAPK1HSD17B10
SCHEMBL13410110 0.61 MAPK1 (0.58) KDM4EMAPK1HSD17B10
SCHEMBL8240581 0.60 MAPK1 (0.37) ELANEKDM4EMAPK1HSD17B10
SCHEMBL16284922 0.60 NOS1 (0.33) —
SCHEMBL16575414 0.60 NQO1 (0.40) KDM4EHSD17B10
SCHEMBL257133 0.59 NOS1 (0.39) ELANEKDM4EMAPK1HSD17B10

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-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — 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-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 ELANE 4650/4885KDM4E 464/4885MAPK1 2681/4885

“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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