SCHEMBL6406136

SCHEMBL6406136

N#CN(C(N)=O)C(=O)[CH]Cc1cc(I)c(O)c(I)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.34
ALB P02768 1/20 0.34
SIRT5 Q9NXA8 1/20 0.33
THRB P10828 3/20 0.31
THRA P10827 2/20 0.31
RXRA P19793 2/20 0.31
PPARG P37231 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
PDE4D Q08499 2/20 0.31
HSD17B10 Q99714 2/20 0.31
NR3C1 P04150 1/20 0.31
CYP1A2 P05177 1/20 0.31
HTR1A P08908 1/20 0.31
CYP2C9 P11712 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL6019621 0.78 CA2 (0.40) MEN1KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL6021436 0.77 ALDH1A1 (0.37) CYP1A2ALDH1A1MAPT
SCHEMBL10962553 0.63 THRB (0.50) TTRSIRT5THRBTHRARXRA
SCHEMBL6742776 0.62 ALDH1A1 (0.38) HSD17B10ALDH1A1MAPT
Ioxynil SCHEMBL10467695 0.61 TTR (0.79) TTRALBSIRT5MEN1KMT2A
SCHEMBL8961865 0.60 XDH (0.47) TTRALBRXRAPPARGMEN1
SCHEMBL4955729 0.58 CA2 (0.43) HTR1AALDH1A1
SCHEMBL5082239 0.57
SCHEMBL6020762 0.57 MCL1 (0.36) LMNACYP1A2CYP2C9ALDH1A1MAPT
SCHEMBL8773706 0.57 THRB (0.71) TTRSIRT5THRBTHRARXRA

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-20050282871-A1 3-(3,5-Disubstituted-4-hydroxyphenyl)propionamide derivatives as cathepsin b inhibitors BURRILL II LELAND C 2005-12-22 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-20050282871-A1 3-(3,5-Disubstituted-4-hydroxyphenyl)propionamide derivatives as cathepsin b inhibitors CTSB, CTSZ, CTSS TTR 3602/4885ALB 3883/4885SIRT5 556/4885

“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.