SCHEMBL12197869

SCHEMBL12197869

O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.72
MAPT P10636 5/20 0.72
ALDH1A1 P00352 3/20 0.72
KDM4E B2RXH2 3/20 0.72
GRM4 Q14833 1/20 0.65
TSHR P16473 1/20 0.64
KMT2A Q03164 5/20 0.63
LMNA P02545 3/20 0.63
USP2 O75604 1/20 0.63
HSD17B10 Q99714 1/20 0.63
NAMPT P43490 3/20 0.61
AKR1C3 P42330 1/20 0.57
MEN1 O00255 3/20 0.57
GAA P10253 1/20 0.57
TP53 P04637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAPK1 P28482 1/20 0.56
TNF P01375 2/20 0.55
NOD1 Q9Y239 2/20 0.55

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
SCHEMBL12197868 0.92 GRM4 (0.68) SMN1; SMN2MAPTALDH1A1KDM4EGRM4
SCHEMBL12010892 0.81 SMN1; SMN2 (0.78) SMN1; SMN2MAPTALDH1A1KDM4ETSHR
SCHEMBL12197865 0.78 KMT2A (0.71) SMN1; SMN2MAPTALDH1A1GRM4TSHR
SCHEMBL1865395 0.78 SMN1; SMN2 (0.69) SMN1; SMN2MAPTALDH1A1KDM4ETSHR
SCHEMBL20380257 0.76 SMN1; SMN2 (0.70) SMN1; SMN2MAPTALDH1A1KDM4ETSHR
SCHEMBL20385512 0.76 NAMPT (1.00) SMN1; SMN2MAPTALDH1A1KDM4ETSHR
SCHEMBL29882281 0.76 MAPT (0.62) SMN1; SMN2MAPTALDH1A1KDM4ETSHR
SCHEMBL20389438 0.76 MAPT (0.62) SMN1; SMN2MAPTALDH1A1KDM4ETSHR
SCHEMBL1972335 0.75 NPC1 (0.74) SMN1; SMN2MAPTKDM4EGRM4LMNA
SCHEMBL20657330 0.75 SMN1; SMN2 (0.67) SMN1; SMN2MAPTALDH1A1KDM4ETSHR

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 SMN1; SMN2 790/4885MAPT 1712/4885ALDH1A1 3825/4885

“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.