SCHEMBL4263699

SCHEMBL4263699

COc1ccc(NC(=O)N2CCc3onc(C(=O)NCc4ccccc4)c3C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
TSHR P16473 1/20 0.60
RAB9A P51151 5/20 0.59
ATM Q13315 1/20 0.59
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 1/20 0.52
RECQL P46063 3/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
NR4A1 P22736 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 1/20 0.51
GLA P06280 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
NAMPT P43490 5/20 0.48
MEN1 O00255 1/20 0.48
CDK1 P06493 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
SCHEMBL2588184 0.87 MAPT (0.63) MAPTTSHRRAB9AATMKMT2A
SCHEMBL4263116 0.79 LMNA (0.56) MAPTTSHRRAB9AATMKMT2A
SCHEMBL2578696 0.78 SMN1; SMN2 (0.66) MAPTTSHRRAB9AATMKMT2A
SCHEMBL13545873 0.76 MAPT (1.00) MAPTTSHRRAB9AATMKMT2A
SCHEMBL2585711 0.74 MAPT (0.58) MAPTTSHRRAB9AATMKMT2A
SCHEMBL2580660 0.74 ALDH1A1 (0.60) MAPTTSHRRAB9AATMKMT2A
SCHEMBL5532143 0.73 MAPT (0.47) MAPTTSHRRAB9AATMKMT2A
SCHEMBL2587252 0.72 ALDH1A1 (0.57) MAPTTSHRRAB9AATMKMT2A
SCHEMBL4272825 0.71 SMN1; SMN2 (0.53) MAPTTSHRRAB9AATMKMT2A
SCHEMBL13545840 0.71 MAPT (0.74) MAPTTSHRRAB9AATMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1869053-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-26 EP claimed
WO-2006105945-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2006-10-12 WO 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 disclosed
EP-1869053-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-26 EP disclosed
WO-2006105945-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2006-10-12 WO 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.