SCHEMBL2593433

SCHEMBL2593433

O=C(Nc1nc(C2CC2)c(SCc2ccccc2F)s1)c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 15/20 0.67
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
OPRK1 P41145 3/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
AGTR1 P30556 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSP90AA1 P07900 1/20 0.45
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL2593618 0.89 GRM4 (0.66) GRM4MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2591002 0.84 GRM4 (0.64) GRM4
SCHEMBL2593424 0.82 GRM4 (0.66) GRM4MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12182185 0.80 GRM4 (1.00) GRM4
SCHEMBL27911435 0.78 GRM4 (0.76) GRM4
SCHEMBL2591852 0.77 GRM4 (0.79) GRM4MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2592449 0.75 GRM4 (0.67) GRM4MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2593919 0.74 RAB9A (0.60) GRM4MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2594309 0.74 GRM4 (0.69) GRM4
SCHEMBL12182207 0.74 GRM4 (0.86) GRM4

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 1/4885MAPT 1372/4885SMN1; SMN2 223/4885

“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.