SCHEMBL2594528

SCHEMBL2594528

O=C(Nc1ncc(SCc2ccc(Cl)cc2Cl)s1)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 12/20 1.00
TSHR P16473 1/20 0.56
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
ABL1 P00519 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
AGTR1 P30556 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 1/20 0.45

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
SCHEMBL15045092 0.90 GRM4 (0.81) GRM4TSHRNPC1RAB9APKM
SCHEMBL12182186 0.90 GRM4 (1.00) GRM4TSHRNPC1RAB9APKM
SCHEMBL2591102 0.82 GRM4 (0.83) GRM4NPC1RAB9APKMALDH1A1
SCHEMBL2591852 0.82 GRM4 (0.79) GRM4NPC1RAB9APKMABL1
SCHEMBL15045090 0.81 GRM4 (0.80) GRM4NPC1RAB9APKMALDH1A1
SCHEMBL2588084 0.81 GRM4 (0.68) GRM4TSHR
SCHEMBL12182178 0.78 GRM4 (1.00) GRM4TSHR
SCHEMBL2594054 0.78 GRM4 (0.72) GRM4NPC1RAB9APKMALDH1A1
SCHEMBL15045105 0.72 LMNA (0.69) GRM4NPC1RAB9AABL1ALDH1A1
SCHEMBL2594309 0.71 GRM4 (0.69) 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 9 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-9192603-B2 Heterocyclic sulfone mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2015-11-24 US disclosed
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
US-20130158078-A1 Heterocyclic Sulfone MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-06-20 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
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 1/4885TSHR 518/4885NPC1 3626/4885

“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.