SCHEMBL12377937

SCHEMBL12377937

NCNC(=O)c1cccc([125I])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CFD P00746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
FURIN P09958 1/20 0.40

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
SCHEMBL14725929 0.83 SPHK2 (0.47) GAAKMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL47363 0.79 CA1 (0.57) KMT2AALDH1A1L3MBTL1MEN1
SCHEMBL15504664 0.79 SMN1; SMN2 (0.57) GAAKMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL18377765 0.79 L3MBTL1 (0.68) GAAKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12377935 0.79 GAA (0.46) GAAKMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL18376133 0.77 CFD (0.64) SMN1; SMN2KDM4EALDH1A1CFDHDAC2
SCHEMBL948542 0.77 GAA (0.68) GAAHSD17B10SMN1; SMN2ALDH1A1HDAC2
SCHEMBL17018687 0.75 SLC1A2 (0.41) GAAKMT2AHSD17B10KDM4EALDH1A1
SCHEMBL285298 0.72 SMN1; SMN2 (0.62) GAAKMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL14725933 0.71 FURIN (0.40) GAAKMT2AHSD17B10SMN1; SMN2KDM4E

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-20110206605-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same KYOTO UNIVERSITY (JP) 2011-08-25 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-20110206605-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same IAPP, NGLY1, GPR119 GAA 996/4885KMT2A 1068/4885HSD17B10 4300/4885

“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.