SCHEMBL3490682

SCHEMBL3490682

COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
AKR1C3 P42330 6/20 0.58
AKR1C2 P52895 6/20 0.58
AKR1C4 P17516 4/20 0.58
AKR1C1 Q04828 4/20 0.58
FBP1 P09467 2/20 0.57
AKR1B1 P15121 3/20 0.55
MPO P05164 1/20 0.53
KIF11 P52732 1/20 0.50
MYC P01106 1/20 0.49
MAX P61244 1/20 0.49
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
ARNT P27540 1/20 0.45
EPAS1 Q99814 1/20 0.45
LMNA P02545 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL3494240 0.86 AKR1C3 (0.57) MAPK1L3MBTL1AKR1C3AKR1C2AKR1C4
SCHEMBL21856334 0.83 MAPK1 (0.61) MAPK1L3MBTL1AKR1C3AKR1C2AKR1C4
SCHEMBL2328747 0.83 AKR1C3 (0.63) MAPK1L3MBTL1AKR1C3AKR1C2AKR1C4
SCHEMBL14852201 0.83 AKR1C4 (0.61) MAPK1L3MBTL1AKR1C3AKR1C2AKR1C4
SCHEMBL13243720 0.82 AKR1C4 (0.61) MAPK1L3MBTL1AKR1C3AKR1C2AKR1C4
SCHEMBL3492270 0.81 THRB (0.55) MAPK1L3MBTL1AKR1C3AKR1C2AKR1C4
SCHEMBL3492902 0.80 MAPT (0.52) MAPK1L3MBTL1AKR1C3AKR1C2AKR1C4
SCHEMBL21053200 0.79 AKR1C3 (0.56) MAPK1L3MBTL1AKR1C3AKR1C2MPO
SCHEMBL25353287 0.79 AKR1C3 (0.53) MAPK1AKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL29703105 0.79 AKR1C3 (0.53) MAPK1AKR1C3AKR1C2AKR1C4AKR1C1

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 MAPK1 251/4885L3MBTL1 1352/4885AKR1C3 857/4885

“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.