SCHEMBL4287167

SCHEMBL4287167

Cc1nc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.66
▸ MEN1 O00255 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ SMN1; SMN2 Q16637 6/20 0.62
▸ GAA P10253 1/20 0.62
▸ HTT P42858 7/20 0.61
▸ LMNA P02545 6/20 0.61
▸ PKM P14618 4/20 0.59
▸ POLB P06746 1/20 0.59
▸ NOD2 Q9HC29 1/20 0.58
▸ MAPT P10636 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HSPD1 P10809 1/20 0.53
▸ PTPN2 P17706 1/20 0.53
▸ PTPN1 P18031 1/20 0.53
▸ PTPN5 P54829 1/20 0.53
▸ HSPE1 P61604 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53

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
SCHEMBL4284641 0.91 PKM (0.72) L3MBTL1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL25306302 0.81 ALDH1A1 (0.68) MEN1KMT2ANPC1SMN1; SMN2GAA
SCHEMBL13819378 0.80 LMNA (0.60) L3MBTL1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL617881 0.77 LMNA (0.62) L3MBTL1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL30488423 0.76 MEN1 (0.61) L3MBTL1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL28796790 0.76 MEN1 (0.61) L3MBTL1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL13299234 0.75 LMNA (0.82) L3MBTL1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL28235537 0.75 MEN1 (1.00) MEN1KMT2ANPC1HTTLMNA
SCHEMBL4665486 0.74 LMNA (0.68) L3MBTL1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL618695 0.74 HTT (0.61) L3MBTL1MEN1KMT2ASMN1; SMN2GAA

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 7 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-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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 — — WO 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 (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 3597/4885MEN1 1254/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT L3MBTL1 3597/4885MEN1 1254/4885KMT2A 1049/4885

“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.

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