SCHEMBL12767482

SCHEMBL12767482

NC(=O)C(N)(N)NC(=O)c1cccc([123I])c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FURIN P09958 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
HDAC6 Q9UBN7 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC1 Q13547 1/20 0.34
LMNA P02545 1/20 0.33
AOC2 O75106 1/20 0.33
PARP1 P09874 1/20 0.33
CYP2C19 P33261 1/20 0.33
S100B P04271 1/20 0.33

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
SCHEMBL1696105 0.81 FURIN (0.40) FURINKDM4EALDH1A1PKML3MBTL1
SCHEMBL12767469 0.81 TP53BP1 (0.46) FURINKDM4EALDH1A1MEN1KMT2A
SCHEMBL17018685 0.71 PKM (0.43) FURINKDM4EALDH1A1PKML3MBTL1
SCHEMBL12377935 0.71 GAA (0.46) FURINKDM4EALDH1A1PKML3MBTL1
SCHEMBL12735803 0.69 KCNN4 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2HDAC1
SCHEMBL12377927 0.65 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3043951 0.65 PARP1 (0.52) FURINALDH1A1KMT2ALMNAPARP1
SCHEMBL21249304 0.64 LMNA (0.58) ALDH1A1KMT2ASMN1; SMN2HDAC6HDAC8
SCHEMBL13701766 0.62 S100B (0.60) ALDH1A1PKML3MBTL1MEN1KMT2A
SCHEMBL3043953 0.61 ALDH1A1 (0.54) KDM4EALDH1A1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642008-B2 Molecular probe for imaging of pancreatic islets and use of the same KYOTO UNIVERSITY (JP) 2014-02-04 US disclosed
US-20110059483-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same KYOTO UNIVERSITY (JP) 2011-03-10 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-20110059483-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same IAPP, SSTR1, SSTR3 FURIN 3250/4885KDM4E 3805/4885ALDH1A1 4250/4885

“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.