SCHEMBL3493134

SCHEMBL3493134

NC(=O)C(Sc1nnc(-c2ccc3c(c2)CCO3)o1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 0.59
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ TERT O14746 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GSK3A P49840 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL3493227 0.83 GSK3B (0.63) GSK3BTERTGSK3A
SCHEMBL15117474 0.78 GSK3B (0.57) GSK3BALDH1A1TSHRNPC1RAB9A
SCHEMBL3492649 0.76 POLB (0.69) GSK3BALDH1A1TSHRNPC1RAB9A
SCHEMBL3490039 0.75 GSK3B (0.66) GSK3BTERT
SCHEMBL3492013 0.74 GSK3B (1.00) GSK3BTERTGSK3A
SCHEMBL3490130 0.71 GSK3B (0.77) GSK3BTERTGSK3A
SCHEMBL22471887 0.70 DYRK1A (0.61) GSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL3492058 0.69 NPC1 (0.61) GSK3BALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3491505 0.69 GSK3B (0.83) GSK3BTERTGSK3A
SCHEMBL3492002 0.69 GSK3B (1.00) GSK3BTERTNPC1RAB9ASMN1; SMN2

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 1/4885ALDH1A1 1473/4885TSHR 4379/4885

“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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