SCHEMBL4281895

SCHEMBL4281895

CC(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.78
SMN1; SMN2 Q16637 6/20 0.62
GAA P10253 1/20 0.62
PKM P14618 2/20 0.57
HSD17B1 P14061 2/20 0.56
HSD17B2 P37059 2/20 0.56
THRB P10828 2/20 0.55
ALDH1A1 P00352 3/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
HTT P42858 2/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 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
SCHEMBL7984035 0.83 L3MBTL1 (0.78) L3MBTL1SMN1; SMN2GAAPKMHSD17B1
SCHEMBL3625980 0.82 L3MBTL1 (0.69) L3MBTL1SMN1; SMN2GAAPKMHSD17B1
SCHEMBL6833577 0.82 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2GAAPKMHSD17B1
SCHEMBL6834556 0.82 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2GAAPKMHSD17B1
SCHEMBL5212867 0.80 L3MBTL1 (0.57) L3MBTL1SMN1; SMN2GAAPKMHSD17B1
SCHEMBL13602263 0.80 L3MBTL1 (0.63) L3MBTL1SMN1; SMN2GAAPKMTHRB
SCHEMBL23093376 0.80 KDM1A (0.62) SMN1; SMN2GAAALDH1A1CA2HTT
SCHEMBL176826 0.80 L3MBTL1 (0.66) L3MBTL1SMN1; SMN2GAAPKMHSD17B1
SCHEMBL410747 0.79 AR (0.67) L3MBTL1SMN1; SMN2GAAPKMTHRB
SCHEMBL31235173 0.79 AR (0.67) L3MBTL1SMN1; SMN2GAAPKMTHRB

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-8785499-B2 Targeting NAD biosynthesis in bacterial pathogens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-07-22 US disclosed
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-07-26 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS NAMPT, NAPRT, NADK L3MBTL1 1449/4885SMN1; SMN2 4145/4885GAA 1159/4885
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.