SCHEMBL3493258

SCHEMBL3493258

Cc1nnc(-c2ccc3occ(-c4ccc([S+]([O-])Cc5ccccc5C#N)cc4)c3c2)o1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.52
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3491108 0.86 GSK3B (0.56) GSK3B
SCHEMBL3492840 0.83 GSK3B (0.53) GSK3BSMN1; SMN2TP53NPC1ALDH1A1
SCHEMBL3492412 0.83 GSK3B (0.52) GSK3BSMN1; SMN2TP53NPC1ALDH1A1
SCHEMBL3491099 0.82 GSK3B (0.61) GSK3B
SCHEMBL22374540 0.82 GSK3B (0.61) GSK3B
SCHEMBL3493750 0.82 GSK3B (0.61) GSK3B
SCHEMBL3491398 0.81 GSK3B (0.59) GSK3B
SCHEMBL29408791 0.79 GSK3B (0.65) GSK3B
SCHEMBL3492584 0.79 GSK3B (0.65) GSK3B
SCHEMBL17889214 0.79 GSK3B (0.57) 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 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 1/4885SMN1; SMN2 1036/4885TP53 1018/4885

“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.