SCHEMBL17018685

SCHEMBL17018685

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SLC1A2 P43004 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
FURIN P09958 1/20 0.40
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 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
SCHEMBL17018686 0.79 GRM5 (0.51) PKMKMT2AMEN1SLC1A2ALDH1A1
SCHEMBL17018687 0.79 SLC1A2 (0.41) PKML3MBTL1KMT2AMEN1SLC1A2
SCHEMBL27529872 0.77 SLC1A2 (0.63) KMT2ASLC1A2ALDH1A1GAAHSD17B10
SCHEMBL12377935 0.75 GAA (0.46) PKML3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL12767482 0.71 FURIN (0.40) PKML3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL7880196 0.70 PKM (0.50) PKML3MBTL1KMT2AMEN1SLC1A2
SCHEMBL12377927 0.69 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1NPSR1
SCHEMBL8593124 0.67 NPSR1 (0.69) KMT2AALDH1A1KDM4ENPSR1ATM
Hydrochloric Acid SCHEMBL16246881 0.67 TAS1R3 (0.49) KMT2AALDH1A1KDM4ETAS1R3TAS1R1
SCHEMBL12205709 0.66 KMT2A (0.56) KMT2AMEN1ALDH1A1NPSR1TAS1R3

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-20150231284-A1 MOLECULAR PROBE FOR IMAGING OF PANCREATIC ISLET AND THE PRECURSOR, AND USE OF THE SAME ARKRAY, INC. (JP) 2015-08-20 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-20150231284-A1 MOLECULAR PROBE FOR IMAGING OF PANCREATIC ISLET AND THE PRECURSOR, AND USE OF THE SAME IAPP, PDXK, NLK PKM 308/4885L3MBTL1 1142/4885KMT2A 3472/4885

“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.