SCHEMBL2587258

SCHEMBL2587258

O=C(c1noc2c1CN(S(=O)(=O)c1cc(Cl)ccc1Cl)CC2)N1CCC(CNC(=O)C(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 1/20 0.44
CNR1 P21554 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2586645 0.78 TP53 (0.52) KMT2AMEN1CNR1HTTMAPT
SCHEMBL4264818 0.78 ALDH1A1 (0.48) KMT2AMEN1CNR1NPSR1HTT
SCHEMBL2588302 0.77 USP2 (0.41) KMT2AMEN1CNR1NPSR1HTT
SCHEMBL2586737 0.75 TP53 (0.55) MAPTTP53LMNA
SCHEMBL2584833 0.74 NPC1 (0.44) KMT2AMEN1HTTMAPTTP53
SCHEMBL2588879 0.73 HSP90AA1 (0.42) KMT2AMEN1NPSR1HTTKDM4E
SCHEMBL13548617 0.73 CNR2 (0.52) KMT2AMEN1CNR1NPSR1HTT
SCHEMBL2581935 0.72 L3MBTL1 (0.42) KMT2AMEN1CNR1MAPTTP53
SCHEMBL13548548 0.72 CYP2C9 (0.48) KMT2AMEN1CNR1NPSR1HTT
SCHEMBL2585772 0.71 TDP1 (0.41) KMT2AMEN1CNR1HTTMAPT

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-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

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 KMT2A 4073/4885MEN1 2795/4885CNR1 155/4885

“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.