SCHEMBL3492902

SCHEMBL3492902

COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 2/20 0.52
THRB P10828 1/20 0.50
AKR1C4 P17516 1/20 0.49
AKR1C1 Q04828 1/20 0.49
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MITF O75030 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FBP1 P09467 1/20 0.46
TP53 P04637 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
VCAM1 P19320 1/20 0.45
MRGPRX4 Q96LA9 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
SCHEMBL2277928 0.91 MAPT (0.64) MAPTAKR1C3AKR1C2THRBALDH1A1
SCHEMBL3491233 0.88 MAPT (0.66) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL3494240 0.88 AKR1C3 (0.57) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL25353287 0.85 AKR1C3 (0.53) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL29703105 0.85 AKR1C3 (0.53) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL3491655 0.85 ALDH3A1 (0.54) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL3490018 0.85 AKR1C3 (0.47) MAPTAKR1C3AKR1C2THRBAKR1C4
SCHEMBL14852279 0.83 AKR1C3 (0.53) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL14852052 0.83 AKR1C3 (0.53) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL15989071 0.82 MAPT (0.53) MAPTAKR1C3AKR1C2AKR1C4AKR1C1

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 MAPT 368/4885AKR1C3 857/4885AKR1C2 770/4885

“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.