SCHEMBL2579399

SCHEMBL2579399

O=C(O)COCC(=O)N1CCc2onc(C(=O)NCc3cccs3)c2C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
LMNA P02545 5/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
TSHR P16473 2/20 0.59
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
HSP90AA1 P07900 3/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2585164 0.79 HSP90AA1 (0.44) SMN1; SMN2LMNAKMT2AMEN1TSHR
SCHEMBL2585124 0.79 LMNA (0.60) SMN1; SMN2LMNAKMT2AMEN1TSHR
SCHEMBL13545781 0.75 KMT2A (1.00) SMN1; SMN2LMNAKMT2AMEN1TSHR
SCHEMBL2580660 0.73 ALDH1A1 (0.60) SMN1; SMN2LMNAKMT2AMEN1TSHR
SCHEMBL13545775 0.72 LMNA (0.69) SMN1; SMN2LMNAKMT2AMEN1TSHR
SCHEMBL2586692 0.72 RAB9A (0.48) SMN1; SMN2LMNAKMT2ATSHRRAB9A
SCHEMBL2579127 0.71 RAB9A (0.45) SMN1; SMN2LMNAKMT2AMEN1TSHR
SCHEMBL4261756 0.71 GRM5 (0.48) LMNAKMT2ARAB9ANPC1HSP90AA1
SCHEMBL2588184 0.70 MAPT (0.63) SMN1; SMN2LMNAKMT2ATSHRRAB9A
SCHEMBL4267581 0.69 KMT2A (0.52) SMN1; SMN2LMNAKMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP claimed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 US claimed
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP disclosed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 US disclosed
EP-1869053-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-26 EP disclosed
WO-2006105945-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2006-10-12 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 (1 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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 SMN1; SMN2 4525/4885LMNA 2302/4885KMT2A 4073/4885

“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.