SCHEMBL4259746

SCHEMBL4259746

COc1ccc(C(=O)N2CCc3onc(C(=O)O)c3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.48
HSP90AA1 P07900 4/20 0.46
DRD4 P21917 1/20 0.46
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 3/20 0.45
RECQL P46063 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 2/20 0.45
NR4A1 P22736 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
KCNK3 O14649 1/20 0.44
TSHR P16473 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL5527334 0.84 HPGD (0.46) LMNAHPGDDRD4GAAMAPT
SCHEMBL4272825 0.84 SMN1; SMN2 (0.53) LMNAHPGDGAASMN1; SMN2MAPT
SCHEMBL4272832 0.82 NPC1 (0.47) LMNAHPGDHSP90AA1SMN1; SMN2MAPT
SCHEMBL2582339 0.81 HSP90AA1 (0.49) LMNAHPGDHSP90AA1GAASMN1; SMN2
SCHEMBL4268590 0.80 MAPT (0.58) LMNAHPGDHSP90AA1GAASMN1; SMN2
SCHEMBL4267349 0.80 HSP90AA1 (0.47) HSP90AA1MAPTNPC1ALDH1A1RAB9A
SCHEMBL2578770 0.80 HSP90AA1 (0.48) LMNAHPGDHSP90AA1GAASMN1; SMN2
SCHEMBL2578771 0.79 HSP90AA1 (0.49) LMNAHSP90AA1GAASMN1; SMN2MAPT
SCHEMBL4267339 0.79 HSP90AA1 (0.46) HPGDHSP90AA1MAPTNPC1ALDH1A1
SCHEMBL4267221 0.79 HPGD (0.55) LMNAHPGDHSP90AA1SMN1; SMN2MAPT

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 6 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-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-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 claimed
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 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-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

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 LMNA 2302/4885HPGD 187/4885HSP90AA1 3575/4885

“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.