SCHEMBL2585095

SCHEMBL2585095

CC(NC(=S)N1CCc2onc(C(=O)NCCc3ccccc3)c2C1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 4/20 0.55
GAA P10253 2/20 0.55
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
HSP90AA1 P07900 6/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 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
SCHEMBL4267373 0.85 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL2583226 0.85 ALDH1A1 (0.60) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL4263116 0.82 LMNA (0.56) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL2586908 0.82 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL2580961 0.78 ALDH1A1 (0.65) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL2587840 0.73 RAB9A (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL13545787 0.73 RAB9A (0.98) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL5531204 0.72 NPC1 (0.47) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL2584766 0.71 KMT2A (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL22482179 0.69 RAB9A (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1GAA

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 1107/4885RAB9A 4445/4885SMN1; 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.