SCHEMBL2593847

SCHEMBL2593847

O=C(Nc1nc(C(F)(F)F)c(Br)s1)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 9/20 0.58
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
HTT P42858 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.55
OPRK1 P41145 3/20 0.55
AGTR1 P30556 2/20 0.55
PKM P14618 2/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 3/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
RIPK1 Q13546 1/20 0.52
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA1 P00915 1/20 0.48

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
SCHEMBL8551449 0.81 GRM4 (0.55) GRM4NPC1RAB9AHTTSMN1; SMN2
SCHEMBL2593984 0.80 NPC1 (0.60) GRM4NPC1RAB9AHTTSMN1; SMN2
SCHEMBL6680361 0.77 RAB9A (0.55) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL2591083 0.77 GRM4 (0.59) GRM4NPC1RAB9AHTTSMN1; SMN2
SCHEMBL2593919 0.76 RAB9A (0.60) GRM4NPC1RAB9AHTTSMN1; SMN2
SCHEMBL6679281 0.75 TAS1R3 (0.50) NPC1RAB9AMAPTPKMMEN1
SCHEMBL2593424 0.75 GRM4 (0.66) GRM4NPC1RAB9AHTTSMN1; SMN2
SCHEMBL2591117 0.75 GRM4 (0.66) GRM4NPC1RAB9AHTTSMN1; SMN2
SCHEMBL12182169 0.74 GRM4 (1.00) GRM4
SCHEMBL12182204 0.74 GRM4 (1.00) 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 1/4885NPC1 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.