SCHEMBL10137145

SCHEMBL10137145

NCCNC(=O)C1CCCCCC(C(=O)NCCN)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
EPHX1 P07099 1/20 0.48
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
EPHX2 P34913 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CHRM1 P11229 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 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
SCHEMBL23419143 0.92 NAAA (0.58) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL61158 0.92 NAAA (0.58) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL4678443 0.90 NAAA (0.55) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL4679015 0.86 NAAA (0.50) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
Oxalic Acid SCHEMBL11649259 0.85 NAAA (0.50) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL22043430 0.81 NAAA (0.56) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL18826979 0.81 NAAA (0.56) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL19273978 0.81 NAAA (0.56) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL4679423 0.81
SCHEMBL13300769 0.81 NAAA (0.64) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2

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-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-12 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-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB NAAA 2936/4885EPHX1 4000/4885KEAP1 1341/4885

“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.