SCHEMBL1156563

SCHEMBL1156563

O=Cc1c[nH]c(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP2A6 P11509 1/20 0.44
KDM4E B2RXH2 5/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
AXL P30530 1/20 0.39
GFER P55789 1/20 0.38
ERCC1 P07992 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 1/20 0.37
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NOTUM Q6P988 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL25188888 0.81 MAPT (0.43) RAB9AALDH1A1KDM4EMAPTAXL
SCHEMBL30690825 0.80 IDO1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL25188885 0.80 IDO1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL27200273 0.80 KDM4E (0.38) NPC1RAB9AALDH1A1KDM4EGAA
SCHEMBL3416986 0.77 HDAC2 (0.53) RAB9AALDH1A1KDM4EGAAMAPT
SCHEMBL3416990 0.77 HDAC2 (0.53) RAB9AALDH1A1KDM4EGAAMAPT
SCHEMBL29159071 0.77 CCNB2 (0.39) KIF11
SCHEMBL193886 0.74 NPC1 (0.37) NPC1ALDH1A1CYP2A6NOTUM
SCHEMBL29520098 0.74 NPC1 (0.37) NPC1ALDH1A1CYP2A6NOTUM
SCHEMBL1278543 0.74 MAPK14 (0.38) NPC1RAB9AALDH1A1CYP2A6KDM4E

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 63 patents — showing the first 20. 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
US-20140186875-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSIS MONTANA STATE UNIVERSITY (US) 2014-07-03 US disclosed
EP-2327692-B9 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-06-04 EP disclosed
US-8436187-B2 1-heterocyclylsulfonyl, 3-aminomethyl, 5- (hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8415368-B2 Acid secretion inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-09 US disclosed
EP-1803709-B1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-02 EP disclosed
US-8338462-B2 1-heterocyclylsulfonyl, 3-aminomethyl, 5- (hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-8338461-B2 1-heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-20070259333-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2007-11-08 US disclosed
US-20070259333-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2007-11-08 US disclosed
US-20070259333-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2007-11-08 US disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 EP disclosed
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-15 US disclosed
WO-2007026916-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO disclosed
EP-1543007-A1 NOVEL ZWITTERIONIC FLUORESCENT DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES Montana State University (US) 2005-06-22 EP disclosed
US-20040248203-A1 Novel zwitterionic dyes for labeling in proteomic and other biological analyses MONTANA STATE UNIVERSITY 2004-12-09 US disclosed
US-20040106153-A1 Novel zwitterionic fluorescent dyes for labeling in proteomic and other biological analyses MONTANA STATE UNIVERSITY 2004-06-03 US disclosed
WO-2004009598-A1 NOVEL ZWITTERIONIC FLUORESCENT DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2004-01-29 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 (5 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 NPC1 594/4885RAB9A 841/4885ALDH1A1 2529/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 NPC1 596/4885RAB9A 1008/4885ALDH1A1 2593/4885
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease HRH2, GIPR, HRH4 NPC1 831/4885RAB9A 824/4885ALDH1A1 1043/4885
US-20040248203-A1 Novel zwitterionic dyes for labeling in proteomic and other biological analyses CHAMP1, ANXA5, ANXA3 NPC1 4051/4885RAB9A 1171/4885ALDH1A1 3530/4885
US-20040106153-A1 Novel zwitterionic fluorescent dyes for labeling in proteomic and other biological analyses ANXA5, CHAMP1, ANXA3 NPC1 3730/4885RAB9A 1059/4885ALDH1A1 3601/4885

“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.