SCHEMBL1063141

SCHEMBL1063141

CC(=O)OCCNc1ccc(C(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 2/20 0.51
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.42
SCN5A Q14524 2/20 0.42
CYP1A2 P05177 2/20 0.42
MAOA P21397 1/20 0.42
CNR1 P21554 1/20 0.42
DRD4 P21917 1/20 0.42
ACHE P22303 1/20 0.42
HRH2 P25021 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
NTSR1 P30989 1/20 0.42
HRH1 P35367 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
SCHEMBL9365801 0.85 POLB (0.47) ALDH1A1MAPK1RAB9APOLBKDM4E
SCHEMBL20804140 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL27673633 0.81 MAPT (0.46) ALDH1A1SMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL6446183 0.81 MAPT (0.55) ALDH1A1SMN1; SMN2NPC1POLBKDM4E
SCHEMBL15145613 0.81 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL4763640 0.80 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL5950512 0.80 KDM4E (0.52) ALDH1A1SMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL9252978 0.79 POLB (0.46) ALDH1A1MAPK1RAB9APOLBKDM4E
SCHEMBL27887836 0.79 GAA (0.61) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
Hydrochloric Acid SCHEMBL1066414 0.78 KDM4E (0.51) ALDH1A1SMN1; SMN2MAPK1RAB9ANPC1

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2277510-B1 Controlled release preparation TAKEDA PHARMACEUTICALS CO (JP) 2018-12-26 EP disclosed
EP-1602362-B1 DRUG COMPOSITION HAVING ACTIVE INGREDIENT ADHERED AT HIGH CONCENTRATION TO SPHERICAL CORE TAKEDA PHARMACEUTICAL (JP) 2016-09-28 EP disclosed
EP-1602362-B1 DRUG COMPOSITION HAVING ACTIVE INGREDIENT ADHERED AT HIGH CONCENTRATION TO SPHERICAL CORE TAKEDA PHARMACEUTICAL (JP) 2016-09-28 EP disclosed
US-20160128945-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2016-05-12 US disclosed
US-20160128945-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2016-05-12 US disclosed
US-20160128945-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2016-05-12 US disclosed
US-8980322-B2 Controlled release composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-8784885-B2 Controlled release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-8784885-B2 Controlled release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-8784885-B2 Controlled release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20060177509-A1 Controlled release composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-10 US disclosed
US-20060159760-A1 Drug composition having active ingredient adhered at high concentration to spherical core AOYAMA & PARTNERS 2006-07-20 US disclosed
US-20060013868-A1 Controlled release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-19 US disclosed
EP-1607088-A1 CONTROLLED RELEASE COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2005-12-21 EP disclosed
EP-1602362-A1 DRUG COMPOSITION HAVING ACTIVE INGREDIENT ADHERED AT HIGH CONCENTRATION TO SPHERICAL CORE Takeda Pharmaceutical Company Limited (JP) 2005-12-07 EP disclosed
US-20050222210-A1 Prodrugs of imidazole derivatives, for use as proton pump inhibitors in the treatment of e.g. peptic ulcers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-06 US disclosed
EP-1553929-A2 CONTROLLED RELEASE PREPARATION Takeda Pharmaceutical Company Limited (JP) 2005-07-20 EP disclosed
EP-1513527-A1 PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2004035020-A2 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 WO disclosed
WO-2003105845-A1 PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-12-24 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-20050222210-A1 Prodrugs of imidazole derivatives, for use as proton pump inhibitors in the treatment of e.g. peptic ulcers SI, VIP, PGC ALDH1A1 302/4885SMN1; SMN2 4683/4885MAPK1 525/4885
US-20160128945-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG ALDH1A1 3641/4885SMN1; SMN2 2537/4885MAPK1 4396/4885
US-20060159760-A1 Drug composition having active ingredient adhered at high concentration to spherical core SLC18A1, MAST1, ABCG2 ALDH1A1 1447/4885SMN1; SMN2 3103/4885MAPK1 4604/4885
US-20060013868-A1 Controlled release preparation SLC18A1, MLN, GCG ALDH1A1 3641/4885SMN1; SMN2 2537/4885MAPK1 4396/4885
US-20060177509-A1 Controlled release composition ATP6AP1, NSF, ATP6V1G1 ALDH1A1 4047/4885SMN1; SMN2 3942/4885MAPK1 4249/4885

“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.