SCHEMBL2591470

SCHEMBL2591470

Nc1ncc(SCc2ccccc2Cl)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 4/20 0.51
CDK2 P24941 1/20 0.45
MEN1 O00255 2/20 0.43
GRM4 Q14833 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MGAM O43451 1/20 0.41

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
SCHEMBL3904545 0.82 RAB9A (0.47) GAAKMT2ACDK2GRM4SMN1; SMN2
SCHEMBL956877 0.78 GRM4 (0.49) CDK2GRM4SMN1; SMN2NPC1RAB9A
SCHEMBL29887392 0.74 GAA (1.00) GAAMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL20583237 0.74 RAB9A (0.55) GAACDK2GRM4SMN1; SMN2NPC1
SCHEMBL11887696 0.74 GAA (1.00) GAAMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL2201618 0.73 POLB (0.52) GAAMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL15522472 0.73 LMNA (0.50) KMT2AMEN1L3MBTL1MAPTHPGD
SCHEMBL231018 0.73 POLB (0.52) GAAMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL28927156 0.71 KMT2A (0.53) GAAMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL30107608 0.71 KMT2A (0.53) GAAMAPK1KMT2AMEN1SMN1; 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 GAA 3196/4885MAPK1 2318/4885KMT2A 2028/4885

“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.