SCHEMBL3493995

SCHEMBL3493995

CCSc1ccc(-c2coc3ccc(-c4nnc(C)o4)cc23)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.52
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 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
SCHEMBL3493574 0.89 GSK3B (0.54) GSK3BNPC1RAB9AALDH1A1
SCHEMBL3491224 0.87 GSK3B (0.64) GSK3B
SCHEMBL3490023 0.81 GSK3B (0.53) GSK3BSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL3491029 0.80 GSK3B (0.60) GSK3BSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL3492069 0.80 GSK3B (0.50) GSK3BSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL3492680 0.79 GSK3B (0.58) GSK3BSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL3490700 0.79 GSK3B (0.61) GSK3B
SCHEMBL3490425 0.78 GSK3B (0.55) GSK3BSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL3490452 0.78 GSK3B (0.53) GSK3BSMN1; SMN2RAB9AHPGDMAPT
SCHEMBL3490840 0.78 GSK3B (0.55) GSK3BSMN1; SMN2HPGDLMNA

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 1036/4885NPC1 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.