SCHEMBL2586908

SCHEMBL2586908

O=C(NCCc1ccccc1)c1noc2c1CN(C(=S)Nc1c(F)c(F)c(F)c(F)c1F)CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
RAB9A P51151 4/20 0.58
GAA P10253 2/20 0.58
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
HSP90AA1 P07900 3/20 0.44
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
SCD O00767 1/20 0.40
SCD5 Q86SK9 1/20 0.40

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
SCHEMBL5539191 0.85 SMN1; SMN2 (0.46) ALDH1A1NPC1SMN1; SMN2RAB9AGAA
SCHEMBL2583226 0.84 ALDH1A1 (0.60) ALDH1A1NPC1SMN1; SMN2RAB9AGAA
SCHEMBL2585095 0.82 ALDH1A1 (0.55) ALDH1A1NPC1SMN1; SMN2RAB9AGAA
SCHEMBL4270038 0.81 NPC1 (0.38) ALDH1A1NPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL2582335 0.79 HSP90AA1 (0.45) ALDH1A1NPC1SMN1; SMN2RAB9AGAA
SCHEMBL2587840 0.77 RAB9A (0.53) ALDH1A1NPC1SMN1; SMN2RAB9AGAA
SCHEMBL13545787 0.75 RAB9A (0.98) ALDH1A1NPC1SMN1; SMN2RAB9AGAA
SCHEMBL15300340 0.72 CHRM3 (0.33) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL5531204 0.71 NPC1 (0.47) ALDH1A1NPC1SMN1; SMN2RAB9AGAA
SCHEMBL2584691 0.70 ALDH1A1 (0.50) ALDH1A1NPC1SMN1; SMN2RAB9AGAA

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 5 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
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 ALDH1A1 1107/4885NPC1 1245/4885SMN1; SMN2 4525/4885

“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.