SCHEMBL3491101

SCHEMBL3491101

COC(=O)c1cnc2occ(-c3ccccc3Cl)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 3/20 0.41
P2RY12 Q9H244 1/20 0.39
MAPK14 Q16539 1/20 0.39
PDK2 Q15119 1/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 3/20 0.38
PDGFRB P09619 2/20 0.38
KDR P35968 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR3 Q99500 1/20 0.38
PSMD14 O00487 1/20 0.38
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 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
SCHEMBL3492865 0.83 CNR1 (0.40) ALDH1A1NPC1HPGDVEGFAFLT1
SCHEMBL3492780 0.79 NQO2 (0.49) GPBAR1MAPTTP53MAPK14GAA
SCHEMBL3492704 0.74 MAPK1 (0.41) GAATSHRLMNAHTTKDM4E
SCHEMBL3579289 0.73 CAMKK2 (0.45) MAPTTP53KDM4EPDGFRBKDR
SCHEMBL5934287 0.71 MAPK1 (0.51) GPBAR1MAPTTP53GAATSHR
SCHEMBL9907661 0.71 HTR5A (0.52) GPBAR1MAPTTP53MAPK14GAA
SCHEMBL9907723 0.71 HTR5A (0.49) GPBAR1MAPTTP53MAPK14GAA
SCHEMBL6255106 0.70 PDK2 (0.50) MAPTTP53MAPK14PDK2GAA
SCHEMBL9907565 0.70 TP53 (0.47) MAPTTP53GAATSHRLMNA
SCHEMBL16502432 0.69 MAPT (0.48) MAPTTP53MAPK14GAATSHR

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 GPBAR1 1069/4885MAPT 368/4885TP53 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.