SCHEMBL2593984

SCHEMBL2593984

Cc1nc(NC(=O)c2ccccn2)sc1Br

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
PKM P14618 2/20 0.60
GRM4 Q14833 16/20 0.60
MAPT P10636 2/20 0.58
OPRK1 P41145 2/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
METAP2 P50579 1/20 0.54
METAP1 P53582 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.52
AGTR1 P30556 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL2591083 0.83 GRM4 (0.59) NPC1RAB9APKMGRM4MAPT
SCHEMBL2593847 0.80 GRM4 (0.58) NPC1RAB9APKMGRM4MAPT
SCHEMBL2593919 0.79 RAB9A (0.60) NPC1RAB9APKMGRM4MAPT
SCHEMBL30522196 0.79 GRM4 (0.56) NPC1RAB9APKMGRM4MAPT
SCHEMBL12248914 0.77 ALDH1A1 (0.66) NPC1RAB9APKMGRM4MAPT
SCHEMBL28480808 0.76 TLR7 (0.55) NPC1RAB9APKMGRM4MAPT
SCHEMBL2385907 0.75 NPC1 (1.00) NPC1RAB9APKMGRM4MAPT
SCHEMBL2594378 0.75 NPC1 (0.69) NPC1RAB9APKMGRM4MAPT
SCHEMBL21511019 0.75 SMN1; SMN2 (0.66) NPC1RAB9APKMMAPTOPRK1
SCHEMBL30263346 0.75 PDE5A (0.64) NPC1RAB9APKMMAPTOPRK1

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 NPC1 3626/4885RAB9A 2120/4885PKM 1704/4885

“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.