SCHEMBL1156084

SCHEMBL1156084

CCOC(=O)C(C#N)CC(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
HTR7 P34969 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
CASP3 P42574 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
ATM Q13315 1/20 0.42
ALPG P10696 1/20 0.41
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
RAB9A P51151 2/20 0.40
PTPN1 P18031 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL17841404 0.86 HTR7 (0.48) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL5592436 0.86 KMT2A (0.47) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL1156065 0.85 KMT2A (0.65) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL1156537 0.84 HDAC3 (0.51) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL1156458 0.84 KMT2A (0.49) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL4185832 0.83 KMT2A (0.47) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL5745855 0.82 LMNA (0.45) KMT2AMEN1NPC1ALDH1A1HTR7
SCHEMBL11351977 0.79 PPARG (0.48) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL1278444 0.79 KMT2A (0.40) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL18898541 0.79 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1KDM4EHTR7

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 10 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
US-5077288-A Adrenergic, serotonin and histamine antagonist ADIR ET COMPAGNIE (FR) 1991-12-31 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 (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 KMT2A 2240/4885MEN1 2397/4885NPC1 594/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 KMT2A 2262/4885MEN1 1854/4885NPC1 596/4885
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 KMT2A 2049/4885MEN1 529/4885NPC1 2260/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 KMT2A 2255/4885MEN1 2402/4885NPC1 604/4885

“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.