SCHEMBL1156748

SCHEMBL1156748

O=Cc1cc(-c2ccccc2)n(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
MET P08581 2/20 0.46
ACHE P22303 1/20 0.46
CA2 P00918 3/20 0.44
CA1 P00915 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
CA5A P35218 1/20 0.44
TNFSF11 O14788 2/20 0.43
GBA1 P04062 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1157055 0.84 ALDH1A1 (0.45) LMNAALDH1A1KMT2AHTTMEN1
SCHEMBL29262662 0.82 LMNA (0.50) LMNAALDH1A1KMT2AGAAHTT
SCHEMBL1156716 0.81 MET (0.41) ALDH1A1METMAPT
SCHEMBL1156275 0.79 BRD4 (0.42) ALDH1A1MAPT
SCHEMBL1580419 0.78 KMT2A (0.47) LMNAALDH1A1KMT2AGAAHTT
SCHEMBL1156187 0.78 KDM4E (0.51) LMNAALDH1A1GAAHTTCA2
SCHEMBL1156254 0.78 ALOX5 (0.44)
SCHEMBL1155962 0.78 ELAVL1 (0.45) LMNAALDH1A1GAAHTTMAPT
Hydrochloric Acid SCHEMBL1156764 0.77 KMT2A (0.46) LMNAALDH1A1KMT2AGAAHTT
SCHEMBL1156247 0.77 ALDH1A1 (0.45) LMNAALDH1A1KMT2AGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308605-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
EP-2336107-B1 Proton pump inhibitors TAKEDA PHARMACEUTICAL (JP) 2015-09-23 EP disclosed
US-20140343070-A1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-20 US disclosed
EP-1803709-B1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-02 EP disclosed
US-8048909-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-01 US disclosed
EP-2336107-A2 Proton pump inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
US-20110028476-A1 PROTON PUMP INHIBITORS KAJINO MASAHIRO 2011-02-03 US disclosed
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 US disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 EP 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 (4 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-20140343070-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 LMNA 3729/4885ALDH1A1 2529/4885KMT2A 2240/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 LMNA 3457/4885ALDH1A1 2593/4885KMT2A 2262/4885
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use PTGER1, PTGER3, NR3C1 LMNA 4165/4885ALDH1A1 1764/4885KMT2A 2049/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 LMNA 3735/4885ALDH1A1 2505/4885KMT2A 2255/4885

“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.