SCHEMBL12197868

SCHEMBL12197868

O=C(Nc1ccc(S(=O)(=O)N2Cc3ccccc3C2)cc1)c1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 0.68
SMN1; SMN2 Q16637 6/20 0.62
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
TP53 P04637 1/20 0.62
MAPK1 P28482 1/20 0.62
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.58
NAMPT P43490 1/20 0.57
PKM P14618 1/20 0.57
HTT P42858 1/20 0.57
ADRB2 P07550 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL12197869 0.92 SMN1; SMN2 (0.72) GRM4SMN1; SMN2RAB9ANPC1TP53
SCHEMBL1972335 0.80 NPC1 (0.74) GRM4SMN1; SMN2RAB9ANPC1TP53
SCHEMBL12197865 0.78 KMT2A (0.71) GRM4SMN1; SMN2NPC1TP53ALDH1A1
SCHEMBL15408951 0.77 NPC1 (0.74) GRM4SMN1; SMN2RAB9ANPC1TP53
SCHEMBL935075 0.77 NPC1 (0.70) GRM4SMN1; SMN2RAB9ANPC1TP53
SCHEMBL1869494 0.75 F13A1 (0.69) SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL12197835 0.75 NPC1 (1.00) GRM4SMN1; SMN2RAB9ANPC1TP53
SCHEMBL15408665 0.75 NPC1 (0.72) GRM4SMN1; SMN2RAB9ANPC1TP53
SCHEMBL15406717 0.74 NPC1 (0.69) GRM4SMN1; SMN2RAB9ANPC1TP53
SCHEMBL12197830 0.74 GRM4 (1.00) GRM4SMN1; SMN2RAB9ANPC1TP53

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 790/4885RAB9A 1746/4885

“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.