SCHEMBL2582670

SCHEMBL2582670

O=C(COc1ccccc1)N1CCc2oncc2C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
GAA P10253 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CPT2 P23786 1/20 0.49
CPT1A P50416 1/20 0.49
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL2588611 0.88 SMN1; SMN2 (0.67) KMT2AL3MBTL1MAPTGAASMN1; SMN2
SCHEMBL2582145 0.84 GRM5 (0.50) KMT2AALDH1A1NPC1
SCHEMBL4267581 0.77 KMT2A (0.52) KMT2AMEN1L3MBTL1MAPTTDP1
SCHEMBL13194712 0.77 RYR2 (0.36) KMT2AMEN1GAASMN1; SMN2HPGD
SCHEMBL15492432 0.77 HPGDS (0.43) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL20424296 0.76 MEN1 (0.35) KMT2AMEN1L3MBTL1MAPTGAA
SCHEMBL5529317 0.75 MEN1 (0.50) KMT2AMEN1L3MBTL1MAPTTDP1
SCHEMBL9944481 0.74 FNTA (0.37) KMT2AMEN1KDM4EALDH1A1
SCHEMBL15490051 0.74 NAMPT (0.40) KMT2AMEN1L3MBTL1GAATAAR1
SCHEMBL10721826 0.73 MEN1 (1.00) KMT2AMEN1L3MBTL1MAPTTDP1

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 2 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 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 KMT2A 4073/4885MEN1 2795/4885L3MBTL1 4876/4885

“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.