SCHEMBL4565707

SCHEMBL4565707

O=C(Nc1nc(NC(=O)c2ccccc2)c(C(=O)O)nc1C(=O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.53
P2RX3 P56373 1/20 0.53
ADORA3 P0DMS8 4/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
JAK2 O60674 1/20 0.49
TYK2 P29597 1/20 0.49
TMIGD3 P0DMS9 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ADORA1 P30542 1/20 0.47
HCAR3 P49019 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
GRIK1 P39086 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BCAT2 O15382 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47

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
SCHEMBL11831465 0.86 MEN1 (0.64) MEN1KMT2AHTTP2RX3ADORA3
SCHEMBL4565974 0.80 MEN1 (0.64) MEN1KMT2ANPC1RAB9AADORA1
SCHEMBL27857171 0.77 ADORA3 (0.63) MEN1KMT2AHTTP2RX3ADORA3
SCHEMBL11832814 0.76 PTPN1 (0.63) MEN1KMT2AADORA3ABCG2NPC1
SCHEMBL3299661 0.74 ADORA1 (0.70) MEN1KMT2AADORA3JAK2TYK2
SCHEMBL26034951 0.71 MEN1 (0.55) MEN1KMT2AHTTP2RX3ADORA3
SCHEMBL821839 0.71 KMT2A (1.00) MEN1KMT2AADORA3NPC1RAB9A
SCHEMBL4932652 0.70 KDM4E (0.51) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL3820618 0.70 HTT (0.66) MEN1KMT2AHTTADORA3NPC1
SCHEMBL27874235 0.70 KDR (0.63) MEN1KMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040048889-A1 Use of non-competitive and selective glur5 antagonists as gultamate receptor modulating compounds NEUROSEARCH A/S (DK) 2004-03-11 US claimed
EP-1355640-A1 USE OF NON-COMPETITIVE AND SELECTIVE GLUR5 ANTAGONISTS AS GLUTAMATE RECEPTOR MODULATING COMPOUNDS NEUROSEARCH A/S (DK) 2003-10-29 EP claimed
WO-2002058691-A1 USE OF NON-COMPETITIVE AND SELECTIVE GLUR5 ANTAGONISTS AS GLUTAMATE RECEPTOR MODULATING COMPOUNDS NEUROSEARCH A/S (DK) 2002-08-01 WO claimed
US-7488756-B2 Use of non-competitive and selective GluR5 antagonists as glutamate receptor modulating compounds NEUROSEARCH A/S (DK) 2009-02-10 US disclosed
US-20040048889-A1 Use of non-competitive and selective glur5 antagonists as gultamate receptor modulating compounds NEUROSEARCH A/S (DK) 2004-03-11 US disclosed
EP-1355640-A1 USE OF NON-COMPETITIVE AND SELECTIVE GLUR5 ANTAGONISTS AS GLUTAMATE RECEPTOR MODULATING COMPOUNDS NEUROSEARCH A/S (DK) 2003-10-29 EP disclosed
WO-2002058691-A1 USE OF NON-COMPETITIVE AND SELECTIVE GLUR5 ANTAGONISTS AS GLUTAMATE RECEPTOR MODULATING COMPOUNDS NEUROSEARCH A/S (DK) 2002-08-01 WO 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-20040048889-A1 Use of non-competitive and selective glur5 antagonists as gultamate receptor modulating compounds GRM5, GRIK5, GRIN1 MEN1 4791/4885KMT2A 1332/4885HTT 857/4885

“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.