SCHEMBL2576007

SCHEMBL2576007

Cc1ccc(NC(=O)c2noc3c2CN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
SMN1; SMN2 Q16637 7/20 0.59
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
KDM4E B2RXH2 3/20 0.59
HSD17B10 Q99714 2/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
TP53 P04637 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HPGD P15428 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
POLB P06746 4/20 0.50

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
SCHEMBL2581162 0.93 RAB9A (0.58) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4268544 0.86 CD4 (0.45) ALDH1A1KMT2AGAAPOLB
SCHEMBL2576115 0.81 LMNA (0.52) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL2578684 0.80 KDM4E (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2584665 0.79 NPC1 (0.48) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL5529260 0.78 KMT2A (0.49) ALDH1A1SMN1; SMN2RAB9ATP53KMT2A
SCHEMBL4264547 0.75 KMT2A (0.48) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL4261182 0.75 MEN1 (0.47) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL2588885 0.75 PKM (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2585782 0.75 MAPT (0.48) ALDH1A1SMN1; SMN2TP53KMT2AMEN1

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-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
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 ALDH1A1 1107/4885SMN1; SMN2 4525/4885NPC1 1245/4885

“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.