SCHEMBL1156151

SCHEMBL1156151

Cc1c(C=O)c[nH]c1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.40
CYP2A6 P11509 1/20 0.39
IMPDH2 P12268 1/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
KCNN4 O15554 1/20 0.35
KMT2A Q03164 2/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
IDO1 P14902 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL31054318 0.83 CYP2A6 (0.41) ERN1CYP2A6IMPDH2TRIM24TRIM33
SCHEMBL1278348 0.83 CYP2A6 (0.41) ERN1CYP2A6IMPDH2TRIM24TRIM33
SCHEMBL1278438 0.81 CYP2A6 (0.39) ERN1CYP2A6IMPDH2TRIM24TRIM33
SCHEMBL1278805 0.81 ERN1 (0.40) ERN1CYP2A6IMPDH2TRIM24TRIM33
SCHEMBL2409910 0.80 KMT2A (0.45) ERN1CYP2A6IMPDH2TRIM24TRIM33
SCHEMBL26651017 0.80 ERN1 (0.46) ERN1CYP2A6IMPDH2ALDH1A1CCNE2
SCHEMBL29139363 0.76 ERN1 (0.40) ERN1CYP2A6IMPDH2KCNN4KMT2A
SCHEMBL1156514 0.76 NPC1 (0.47) CYP2A6IMPDH2TRIM24TRIM33ALDH1A1
SCHEMBL1278260 0.74 TRIM24 (0.49) ERN1CYP2A6IMPDH2TRIM24TRIM33
SCHEMBL1155556 0.71 PDCD1 (0.41) ALDH1A1KCNN4IDO1

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 29 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
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-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-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-8299261-B2 1-heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-30 US disclosed
EP-1919865-B1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2011-04-06 EP disclosed
US-20110028476-A1 PROTON PUMP INHIBITORS KAJINO MASAHIRO 2011-02-03 US disclosed
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2009-11-05 US disclosed
US-20090143444-A1 ACID SECRETION INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-04 US disclosed
US-7498337-B2 Acid secretion inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-03 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-1919865-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP 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

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

For each of this compound's patents that has machine-readable text (7 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-20090143444-A1 ACID SECRETION INHIBITOR HRH2, VIP, CCKBR ERN1 1900/4885CYP2A6 833/4885IMPDH2 3566/4885
US-20140343070-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 ERN1 2917/4885CYP2A6 185/4885IMPDH2 2802/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 ERN1 2569/4885CYP2A6 209/4885IMPDH2 2950/4885
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 ERN1 2644/4885CYP2A6 344/4885IMPDH2 3721/4885
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR HRH2, ASNS, GHSR ERN1 2159/4885CYP2A6 859/4885IMPDH2 3091/4885
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 ERN1 1578/4885CYP2A6 1525/4885IMPDH2 3730/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 ERN1 2937/4885CYP2A6 186/4885IMPDH2 2780/4885

“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.