SCHEMBL12197830

SCHEMBL12197830

O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 1.00
SMN1; SMN2 Q16637 3/20 0.73
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
PKM P14618 2/20 0.70
HTT P42858 1/20 0.70
GAA P10253 3/20 0.65
LMNA P02545 2/20 0.65
TSHR P16473 1/20 0.64
MAPT P10636 1/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TP53 P04637 1/20 0.64
MAPK1 P28482 1/20 0.64
USP2 O75604 1/20 0.64
ALDH1A1 P00352 1/20 0.64
GPR27 Q9NS67 2/20 0.61
PTGS2 P35354 1/20 0.61
HPGD P15428 1/20 0.60

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
SCHEMBL12197846 0.92 GRM4 (0.85) GRM4SMN1; SMN2NPC1RAB9APKM
SCHEMBL12197854 0.91 GRM4 (0.83) GRM4SMN1; SMN2NPC1RAB9APKM
SCHEMBL27180433 0.87 GRM4 (0.77) GRM4SMN1; SMN2NPC1RAB9APKM
SCHEMBL30926765 0.87 GRM4 (0.77) GRM4SMN1; SMN2NPC1RAB9APKM
SCHEMBL12197845 0.87 MAPT (0.80) GRM4SMN1; SMN2NPC1RAB9APKM
SCHEMBL12197847 0.86 GRM4 (0.76) GRM4SMN1; SMN2NPC1RAB9APKM
SCHEMBL12197853 0.86 GRM4 (0.80) GRM4SMN1; SMN2NPC1RAB9APKM
SCHEMBL12197835 0.84 NPC1 (1.00) GRM4SMN1; SMN2NPC1RAB9APKM
SCHEMBL1970027 0.84 GRM4 (1.00) GRM4SMN1; SMN2NPC1RAB9APKM
SCHEMBL12197852 0.84 GRM4 (0.82) GRM4SMN1; SMN2NPC1RAB9APKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110243844-A1 SULFONAMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS MERCK SHARP & DOHME CORP. 2011-10-06 US disclosed
US-20110243844-A1 SULFONAMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS MERCK SHARP & DOHME CORP. 2011-10-06 US disclosed
WO-2010033350-A1 SULFONAMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS MERCK & CO., INC. (US) 2010-03-25 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-20110243844-A1 SULFONAMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS GRM4, GRIA4, GRM1 GRM4 1/4885SMN1; SMN2 790/4885NPC1 2618/4885

“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.