SCHEMBL4499618

SCHEMBL4499618

CC(C)(C)OC(=O)n1cc(NC(=O)N2CCCC(COc3ccccc3Cl)C2)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.42
SCD O00767 1/20 0.42
SCN9A Q15858 1/20 0.42
HTR6 P50406 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BCHE P06276 2/20 0.40
KMT2A Q03164 2/20 0.40
MGLL Q99685 1/20 0.40
MEN1 O00255 1/20 0.40
RBP4 P02753 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
CCR3 P51677 1/20 0.39
SSTR4 P31391 2/20 0.39
SSTR1 P30872 1/20 0.39
IRAK1 P51617 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
SCHEMBL4509555 0.82 SCN9A (0.54) SCN9AHTR6BCHEKMT2AMEN1
SCHEMBL4505528 0.80 ALDH1A1 (0.52) LOXL2SCDSMN1; SMN2CCR3
SCHEMBL4499579 0.77 RBP4 (0.53) SCN9AHTR6BCHERBP4ALOX5AP
SCHEMBL4496434 0.74 LOXL2 (0.46) LOXL2SMN1; SMN2KMT2AMEN1
SCHEMBL4504665 0.74 SMN1; SMN2 (0.54) SCDSMN1; SMN2MGLLCCR3
SCHEMBL4506697 0.73 HTR6 (0.54) SCN9AHTR6SMN1; SMN2BCHEKMT2A
SCHEMBL4518274 0.73 KMT2A (0.52) LOXL2SMN1; SMN2KMT2AMEN1RBP4
SCHEMBL27157955 0.73 SCN9A (0.55) SCN9AHTR6BCHERBP4ALOX5AP
SCHEMBL30785411 0.73 POLB (0.52) SCN9AHTR6BCHEALOX5APFEN1
SCHEMBL27158239 0.73 POLB (0.52) SCN9AHTR6BCHEALOX5APFEN1

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 LOXL2 2411/4885SCD 1/4885SCN9A 1620/4885

“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.