SCHEMBL3492649

SCHEMBL3492649

O=C(O)CSc1nnc(-c2ccc3c(c2)CCO3)o1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.69
▸ GSK3B P49841 12/20 0.69
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.57
▸ TP53 P04637 3/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ ABCB1 P08183 1/20 0.56
▸ ABCG2 Q9UNQ0 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55

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
SCHEMBL3492058 0.85 NPC1 (0.61) POLBGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL3490130 0.83 GSK3B (0.77) GSK3B
SCHEMBL3492013 0.81 GSK3B (1.00) GSK3B
SCHEMBL3491505 0.81 GSK3B (0.83) GSK3B
SCHEMBL3490089 0.80 GSK3B (0.67) GSK3BNPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL3490039 0.80 GSK3B (0.66) GSK3B
SCHEMBL3493557 0.80 GSK3B (0.80) GSK3B
SCHEMBL15117474 0.79 GSK3B (0.57) POLBGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL3491221 0.78 GSK3B (0.60) GSK3BTP53HSD17B10ALDH1A1KDM4E
SCHEMBL3493270 0.78 GSK3B (0.82) GSK3B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 — — 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP POLB 2392/4885GSK3B 1/4885NPC1 1571/4885

“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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