SCHEMBL3491848

SCHEMBL3491848

CSc1ccc(-c2coc3ccc(C(=O)NN)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.52
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MTNR1A P48039 2/20 0.40
MAOB P27338 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
PLK1 P53350 1/20 0.39
MAPK14 Q16539 1/20 0.39
MTNR1B P49286 1/20 0.38
ALDH1A1 P00352 2/20 0.37
AR P10275 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR1A P08908 2/20 0.37
HTR1D P28221 2/20 0.37
HTR2C P28335 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3491084 0.84 GSK3B (0.60) GSK3BNPC1POLBMTNR1AMAOB
SCHEMBL3490849 0.83 CA1 (0.55) GSK3BNPC1POLBMAOBALDH1A1
SCHEMBL3490841 0.83 AR (0.41) GSK3BNPC1POLBMTNR1AMAPK14
SCHEMBL3493625 0.83 GSK3B (0.47) GSK3BNPC1POLBMTNR1AMAOB
SCHEMBL3493620 0.82 GSK3B (0.45) GSK3BNPC1POLBMTNR1AMAOB
SCHEMBL3490770 0.81 GSK3B (0.37) GSK3BHAO1PLK1MAPK14ALDH1A1
SCHEMBL3491316 0.78 HDAC6 (0.47) GSK3BNPC1POLBMAOBHTR2C
SCHEMBL3492440 0.75 P2RX7 (0.42) GSK3BMAOBALDH1A1MAPTLMNA
SCHEMBL2830827 0.73 PLK1 (0.68) NPC1HAO1PLK1ALDH1A1MAPT
SCHEMBL3492239 0.72 HDAC6 (0.44) MTNR1AMAOBMTNR1BALDH1A1MAPT

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 1571/4885POLB 2392/4885

“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.