SCHEMBL4289256

SCHEMBL4289256

COc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.63
GAA P10253 2/20 0.63
TRPM8 Q7Z2W7 1/20 0.58
PKM P14618 2/20 0.56
LMNA P02545 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.55
AR P10275 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
SLC10A6 Q3KNW5 1/20 0.52
CYP19A1 P11511 1/20 0.51
TP53 P04637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL3917522 0.85 AR (0.67) L3MBTL1SMN1; SMN2GAAPKMLMNA
SCHEMBL10576413 0.83 SLC40A1 (0.59) L3MBTL1SMN1; SMN2GAALMNAAR
SCHEMBL16680267 0.82 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2GAAPKMLMNA
SCHEMBL10573701 0.81 SLC40A1 (0.57) L3MBTL1SMN1; SMN2GAATRPM8PKM
SCHEMBL31235173 0.80 AR (0.67) L3MBTL1SMN1; SMN2GAAPKMAR
SCHEMBL410747 0.80 AR (0.67) L3MBTL1SMN1; SMN2GAAPKMAR
SCHEMBL3625980 0.80 L3MBTL1 (0.69) L3MBTL1SMN1; SMN2GAAPKMLMNA
SCHEMBL28270283 0.80 L3MBTL1 (0.65) L3MBTL1SMN1; SMN2GAAPKMAR
SCHEMBL17077916 0.80 L3MBTL1 (0.65) L3MBTL1SMN1; SMN2GAAPKMAR
SCHEMBL7448043 0.80 L3MBTL1 (0.65) L3MBTL1SMN1; SMN2GAAPKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
EP-0777660-A1 NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-11 EP disclosed
WO-1996005185-A1 NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS MITSUBISHI CHEMICAL CORPORATION (JP) 1996-02-22 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT L3MBTL1 3597/4885SMN1; SMN2 4811/4885GAA 1381/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT L3MBTL1 3597/4885SMN1; SMN2 4811/4885GAA 1381/4885

“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.