SCHEMBL2593618

SCHEMBL2593618

O=C(Nc1nc(C2CC2)c(SCc2ccccc2Cl)s1)c1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 17/20 0.66
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
AGTR1 P30556 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
OPRK1 P41145 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2593433 0.89 GRM4 (0.67) GRM4NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2593900 0.84 GRM4 (0.64) GRM4NPC1RAB9AMAPTOPRK1
SCHEMBL2591117 0.81 GRM4 (0.66) GRM4NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12182176 0.80 GRM4 (1.00) GRM4
SCHEMBL15045105 0.76 LMNA (0.69) GRM4NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2593919 0.75 RAB9A (0.60) GRM4NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2588084 0.74 GRM4 (0.68) GRM4
SCHEMBL2591002 0.73 GRM4 (0.64) GRM4
SCHEMBL2590992 0.72 GRM4 (0.64) GRM4NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2593424 0.71 GRM4 (0.66) GRM4NPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9192603-B2 Heterocyclic sulfone mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2015-11-24 US disclosed
US-20130158078-A1 Heterocyclic Sulfone MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-06-20 US disclosed
EP-2568809-A1 HETEROCYCLIC SULFONE MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION Vanderbilt University (US) 2013-03-20 EP disclosed
WO-2011143466-A1 HETEROCYCLIC SULFONE MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-11-17 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-20130158078-A1 Heterocyclic Sulfone MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRM4, GRIK4, GRIA4 GRM4 1/4885NPC1 3626/4885RAB9A 2120/4885

“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.