SCHEMBL2585594

SCHEMBL2585594

O=C(NC1CCc2ccccc21)c1noc2c1CN(S(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
POLB P06746 2/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
DHODH Q02127 3/20 0.45
KMT2A Q03164 3/20 0.44
USP2 O75604 1/20 0.44
MEN1 O00255 2/20 0.43
TGM2 P21980 1/20 0.43
HTR6 P50406 1/20 0.42
CYP2C9 P11712 1/20 0.41
FPR1 P21462 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL5532219 0.85 ALDH1A1 (0.47) ALDH1A1POLBHTTTSHRNPSR1
SCHEMBL4264547 0.79 KMT2A (0.48) ALDH1A1MAPK1GAAPKMKMT2A
SCHEMBL13545807 0.78 DHODH (0.61) ALDH1A1HTTTSHRMAPK1SMN1; SMN2
SCHEMBL13545818 0.73 DHODH (0.66) ALDH1A1HTTTSHRSMN1; SMN2DHODH
SCHEMBL2581672 0.72 DRD4 (0.53) LMNA
SCHEMBL2585373 0.71 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2LMNAGAA
SCHEMBL2582179 0.71 RAB9A (0.47) ALDH1A1POLBTSHRNPSR1SMN1; SMN2
SCHEMBL2582036 0.70 GAA (0.52) ALDH1A1HTTMAPK1SMN1; SMN2LMNA
SCHEMBL2576007 0.70 ALDH1A1 (0.59) ALDH1A1POLBTSHRNPSR1MAPK1
SCHEMBL5531185 0.70 MEN1 (0.45) ALDH1A1MAPK1GAAPKMKMT2A

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 1107/4885POLB 4291/4885HTT 3668/4885

“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.