SCHEMBL2585711

SCHEMBL2585711

COc1ccc(CNC(=S)N2CCc3onc(C(=O)NC4CCCC4)c3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
TSHR P16473 3/20 0.58
RAB9A P51151 8/20 0.57
ATM Q13315 1/20 0.57
HSP90AA1 P07900 1/20 0.51
SMN1; SMN2 Q16637 7/20 0.48
NPC1 O15118 7/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 2/20 0.45
GAA P10253 1/20 0.45
POLB P06746 2/20 0.43
NR4A1 P22736 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL5528774 0.87 MAPT (0.47) MAPTTSHRRAB9AATMSMN1; SMN2
SCHEMBL4268590 0.86 MAPT (0.58) MAPTTSHRRAB9AATMHSP90AA1
SCHEMBL2588184 0.77 MAPT (0.63) MAPTTSHRRAB9AATMSMN1; SMN2
SCHEMBL2582213 0.76 GAA (0.57) MAPTTSHRRAB9AATMHSP90AA1
SCHEMBL2580830 0.75 ATF4 (0.51) MAPTTSHRRAB9AHSP90AA1SMN1; SMN2
SCHEMBL13545873 0.74 MAPT (1.00) MAPTTSHRRAB9AATMSMN1; SMN2
SCHEMBL4263699 0.74 MAPT (0.60) MAPTTSHRRAB9AATMSMN1; SMN2
SCHEMBL4274929 0.73 GAA (0.55) MAPTTSHRRAB9AHSP90AA1SMN1; SMN2
SCHEMBL13545840 0.72 MAPT (0.74) MAPTTSHRRAB9AATMSMN1; SMN2
SCHEMBL4272825 0.70 SMN1; SMN2 (0.53) MAPTTSHRRAB9AATMSMN1; SMN2

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 MAPT 3693/4885TSHR 3849/4885RAB9A 4445/4885

“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.