SCHEMBL3369999

SCHEMBL3369999

CS(=O)(=O)c1ccc(NCC2CC2)c([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
PKM P14618 5/20 0.56
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH3A1 P30838 5/20 0.53
BRD4 O60885 3/20 0.51
LMNA P02545 3/20 0.50
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3998489 0.92 KMT2A (0.70) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL3994749 0.88 MEN1 (0.55) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL3995520 0.86 MEN1 (0.53) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL3997877 0.83 PKM (0.53) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL3997164 0.83 ALDH1A1 (0.65) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL1956219 0.82 MAPT (0.56) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL1956216 0.82 MAPT (0.56) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL9604230 0.82 KAT2B (0.58) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL30150839 0.82 KMT2A (0.57) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL2019323 0.81 LMNA (0.72) KMT2AMEN1PKMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994011-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES RAQUALIA PHARMA INC (JP) 2010-10-13 EP disclosed
US-7700618-B2 Sulfonyl benzimidazole derivatives PFIZER INC (US) 2010-04-20 US disclosed
US-7598393-B2 Sulfonyl benzimidazole derivatives PFIZER INC. (US) 2009-10-06 US disclosed
US-20090137584-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES RAQUALIA PHARMA INC. (JP) 2009-05-28 US disclosed
EP-1809607-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2008-12-17 EP disclosed
US-20060094750-A1 Sulfonyl benzimidazole derivatives KON-I KANA 2006-05-04 US 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-20090137584-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES TRPV1, CNR2, CNR1 KMT2A 4180/4885MEN1 3529/4885PKM 3625/4885
US-20060094750-A1 Sulfonyl benzimidazole derivatives TRPV1, CNR2, CNR1 KMT2A 4021/4885MEN1 3669/4885PKM 4052/4885

“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.