SCHEMBL2586645

SCHEMBL2586645

O=C(c1noc2c1CN(S(=O)(=O)c1cc(Cl)ccc1Cl)CC2)N1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
LMNA P02545 5/20 0.49
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 3/20 0.46
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CNR1 P21554 1/20 0.44
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL2586737 0.88 TP53 (0.55) TP53LMNAMAPT
SCHEMBL4264818 0.82 ALDH1A1 (0.48) MAPTHTTALDH1A1PKMKMT2A
SCHEMBL2587258 0.78 KMT2A (0.44) TP53LMNAMAPTSMN1; SMN2HTT
SCHEMBL2584833 0.78 NPC1 (0.44) TP53LMNAMAPTSMN1; SMN2HTT
SCHEMBL2585772 0.76 TDP1 (0.41) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL5531260 0.74 ALDH1A1 (0.45) MAPTSMN1; SMN2HTTALDH1A1GAA
SCHEMBL2585147 0.72 LMNA (0.40) TP53LMNAMAPTMAPK1ALDH1A1
SCHEMBL2588879 0.71 HSP90AA1 (0.42) LMNASMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL2588302 0.69 USP2 (0.41) MAPTSMN1; SMN2HTTALDH1A1GAA
SCHEMBL4264532 0.69 AKR1C3 (0.50) LMNAALDH1A1KMT2AMEN1

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-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-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

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 TP53 3916/4885LMNA 2302/4885MAPT 3693/4885

“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.