SCHEMBL2582213

SCHEMBL2582213

O=C(NCC1CC1)c1noc2c1CN(C(=S)NCc1ccc(Cl)cc1)CC2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 3/20 0.45
HSP90AA1 P07900 3/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 3/20 0.43
MEN1 O00255 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.43
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL4274929 0.86 GAA (0.55) GAAALDH1A1KMT2ALMNAHSP90AA1
SCHEMBL5533616 0.85 GAA (0.43) GAAALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2585711 0.76 MAPT (0.58) GAAALDH1A1KMT2ALMNAHSP90AA1
SCHEMBL4268590 0.74 MAPT (0.58) GAAALDH1A1KMT2ALMNAHSP90AA1
SCHEMBL13545832 0.73 GAA (1.00) GAAALDH1A1KMT2ALMNARAB9A
SCHEMBL2578639 0.73 HSP90AA1 (0.49) ALDH1A1LMNAHSP90AA1RAB9ASMN1; SMN2
SCHEMBL2582142 0.72 HSP90AA1 (0.42) GAAALDH1A1KMT2ALMNAHSP90AA1
SCHEMBL13545857 0.72 MAPT (0.71) GAAALDH1A1KMT2ALMNARAB9A
SCHEMBL2582335 0.69 HSP90AA1 (0.45) GAAALDH1A1KMT2ALMNAHSP90AA1
SCHEMBL2586908 0.68 ALDH1A1 (0.58) GAAALDH1A1KMT2ALMNAHSP90AA1

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 GAA 1506/4885ALDH1A1 1107/4885KMT2A 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.