SCHEMBL3490089

SCHEMBL3490089

c1cc2c(cc1-c1nnc(SCC3CC3)o1)CCO2

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.67
▸ NPC1 O15118 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TERT O14746 3/20 0.49
▸ ABCB1 P08183 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ GSK3A P49840 1/20 0.47

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
SCHEMBL3491505 0.82 GSK3B (0.83) GSK3BTERTGSK3A
SCHEMBL3490039 0.81 GSK3B (0.66) GSK3BTERT
SCHEMBL3492013 0.80 GSK3B (1.00) GSK3BTERTGSK3A
SCHEMBL3492649 0.80 POLB (0.69) GSK3BNPC1TP53RAB9ASMN1; SMN2
SCHEMBL3493889 0.79 GSK3B (0.58) GSK3BTERTGSK3A
SCHEMBL3491033 0.78 GSK3B (1.00) GSK3BTERTGSK3A
SCHEMBL3493557 0.78 GSK3B (0.80) GSK3BTERTGSK3A
SCHEMBL3491972 0.78 GSK3B (0.80) GSK3BTERTGSK3A
SCHEMBL3493589 0.78 GSK3B (0.76) GSK3BMAPK1TERTGSK3A
SCHEMBL3492669 0.77 TERT (0.78) GSK3BTERT

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-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 — — US disclosed
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 GSK3B 1/4885NPC1 1571/4885LMNA 1441/4885

“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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