SCHEMBL431467

SCHEMBL431467

CNC(=O)CCCCCNC(C(=O)O)C(C)(C)S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.35
ADRA1A P35348 1/20 0.34
NOD1 Q9Y239 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
LMNA P02545 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
FAAH O00519 2/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
EPHX2 P34913 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30

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
SCHEMBL432327 1.00 NAMPT (0.35) NAMPTADRA1ANOD1ALDH1A1MAPT
SCHEMBL30980846 0.81 EPHX1 (0.41) NOD1MAPTFNTAFNTB
SCHEMBL30980900 0.81 EPHX1 (0.41) NOD1MAPTFNTAFNTB
SCHEMBL21403573 0.78 ALDH1A1 (0.43) ALDH1A1MAPTPTGS1MEN1KMT2A
SCHEMBL31196416 0.77 ALOX15 (0.38) NOD1ALDH1A1MAPTPTGS1MAPK1
SCHEMBL30597580 0.75 FAAH (0.40) NOD1ALDH1A1MAPTPTGS1FAAH
SCHEMBL17130499 0.73 FAAH (0.46) NAMPTADRA1ALMNAFAAHMEN1
SCHEMBL8053874 0.70 MMP3 (0.41) ADRA1ALMNAFAAHMEN1MAPK1
SCHEMBL6159056 0.70 HDAC3 (0.55) NAMPTLMNAFAAHMEN1MAPK1
SCHEMBL5909431 0.70 HDAC3 (0.55) NAMPTLMNAFAAHMEN1MAPK1

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-20120065367-A1 Radioactively Labeled Substance NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2012-03-15 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-20120065367-A1 Radioactively Labeled Substance KIT, ABCG2, TK1 NAMPT 3760/4885ADRA1A 1844/4885NOD1 4788/4885

“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.