SCHEMBL17018686

SCHEMBL17018686

NC(N)NC(=O)c1cccc([127I])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.51
F2 P00734 1/20 0.50
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
MTOR P42345 3/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
TP53BP1 Q12888 1/20 0.46
KAT6A Q92794 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 1/20 0.41
SLC1A2 P43004 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 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
SCHEMBL17680606 0.82 NPSR1 (0.59) GRM5F2MYCMAXMTOR
SCHEMBL2293623 0.79 ALDH1A1 (0.63) GRM5F2MTORHDAC1HDAC2
SCHEMBL17018687 0.79 SLC1A2 (0.41) MEN1KMT2ASLC1A2NPSR1KDM4E
SCHEMBL17018685 0.79 PKM (0.43) MEN1KMT2ASLC1A2NPSR1KDM4E
SCHEMBL14725928 0.78 MTOR (0.48) GRM5F2MYCMAXMTOR
SCHEMBL11524926 0.77 KDM4E (0.62) GRM5F2MTORHDAC1HDAC2
SCHEMBL2623649 0.77 ATM (0.51) GRM5MYCMAXMTORHDAC1
SCHEMBL27529872 0.77 SLC1A2 (0.63) HDAC1HDAC2KMT2AMAPTSLC1A2
SCHEMBL3673898 0.76 KCNK3 (0.61) GRM5F2HDAC1HDAC2MEN1
SCHEMBL1926964 0.76 MTOR (0.52) GRM5F2MYCMAXMTOR

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 GRM5 3248/4885F2 2390/4885MYC 4019/4885

“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.