SCHEMBL4500281

SCHEMBL4500281

O=C(Nc1cnn(Cc2ccc(F)cc2)c1)N1CCC(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.53
CTNNB1 P35222 1/20 0.53
LMNA P02545 3/20 0.52
NAMPT P43490 2/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.48
FAAH O00519 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 1/20 0.43
KCNH2 Q12809 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SCD O00767 3/20 0.43
SCD5 Q86SK9 3/20 0.43
DRD2 P14416 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL4499571 0.83 TCF4 (0.54) TCF4CTNNB1LMNANAMPTMAPT
SCHEMBL4504697 0.80 TCF4 (0.50) TCF4CTNNB1LMNANAMPTMAPT
SCHEMBL4504665 0.78 SMN1; SMN2 (0.54) TCF4CTNNB1LMNANAMPTMAPT
SCHEMBL4505528 0.77 ALDH1A1 (0.52) TCF4CTNNB1LMNANAMPTMAPT
SCHEMBL4518279 0.76 ALDH1A1 (0.51) TCF4CTNNB1LMNANAMPTMAPT
SCHEMBL4508657 0.75 SMN1; SMN2 (0.53) TCF4CTNNB1LMNANAMPTMAPT
SCHEMBL4516147 0.72 LMNA (0.70) TCF4CTNNB1LMNAMAPTALDH1A1
SCHEMBL4497031 0.72 TCF4 (0.47) TCF4CTNNB1LMNANAMPTMAPT
SCHEMBL13873732 0.71 EPHX2 (0.55) MAPK1FAAHHTR2AHTR2CKCNH2
SCHEMBL4505025 0.71 ALDH1A1 (0.51) TCF4CTNNB1LMNANAMPTMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS TCF4 3626/4885CTNNB1 1923/4885LMNA 247/4885

“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.