SCHEMBL2586727

SCHEMBL2586727

O=C(c1noc2c1CN(S(=O)(=O)c1ccc3ccccc3c1)CC2)N1CCC(CCN2CCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ATM Q13315 1/20 0.41
GAA P10253 4/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 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
SCHEMBL2581935 0.88 L3MBTL1 (0.42) ALDH1A1L3MBTL1LMNATSHRMAPT
SCHEMBL5529398 0.86 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2586164 0.81 MAPT (0.43) ALDH1A1L3MBTL1ATMGAALMNA
SCHEMBL5527973 0.81 MAPT (0.42) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2588200 0.76 GAA (0.46) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL2588237 0.69 SMN1; SMN2 (0.47) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL2589382 0.68 LMNA (0.53) ALDH1A1L3MBTL1GAALMNAMAPT
SCHEMBL4264547 0.68 KMT2A (0.48) ALDH1A1L3MBTL1GAAMEN1KMT2A
SCHEMBL2587258 0.66 KMT2A (0.44) ALDH1A1GAALMNATSHRMAPT
SCHEMBL2585746 0.65 LMNA (0.41) ALDH1A1L3MBTL1GAALMNAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1107/4885L3MBTL1 4876/4885HDAC3 1030/4885

“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.