SCHEMBL3492216

SCHEMBL3492216

COC(=O)c1ccc2occ(-c3cc(F)ccc3F)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.48
NQO2 P16083 2/20 0.48
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PARP1 P09874 1/20 0.43
MAPT P10636 6/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAP2K4 P45985 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 2/20 0.39
TNF P01375 1/20 0.39

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
SCHEMBL3493539 0.82 ALDH1A1 (0.41) GSK3BNQO2MTNR1AMTNR1BMAPT
SCHEMBL12365259 0.76 GSK3B (0.61) GSK3BNQO2MTNR1AMTNR1BMAPT
SCHEMBL3492780 0.76 NQO2 (0.49) GSK3BNQO2MTNR1AMTNR1BMAPT
SCHEMBL7915360 0.76 NPC1 (0.45) NQO2PARP1MAPTNPC1RAB9A
SCHEMBL12193905 0.76 MAPT (0.46) PARP1MAPTNPC1RAB9ALMNA
SCHEMBL12193904 0.76 MAPT (0.46) PARP1MAPTNPC1RAB9ALMNA
SCHEMBL30461915 0.75 NOTUM (0.51) PARP1MAPTNPC1RAB9ALMNA
SCHEMBL3492965 0.74 GSK3B (0.62) GSK3BNQO2MAPTNPC1RAB9A
SCHEMBL5226482 0.74 NQO2 (0.58) GSK3BNQO2MTNR1AMTNR1BMAPT
SCHEMBL26116358 0.74 PTGS1 (0.57) PARP1MAPTNPC1RAB9ALMNA

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 1/4885NQO2 429/4885MTNR1A 2412/4885

“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.