SCHEMBL6476482

SCHEMBL6476482

CN(C)C(=O)Oc1ccc(/C=N/NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.65
RAB9A P51151 8/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
NPC1 O15118 5/20 0.64
RECQL P46063 1/20 0.64
MAPT P10636 5/20 0.63
KDM4E B2RXH2 3/20 0.63
KMT2A Q03164 3/20 0.63
LMNA P02545 2/20 0.63
ALDH1A1 P00352 2/20 0.63
CYP1A2 P05177 1/20 0.45

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
SCHEMBL6476485 1.00 MIF (0.65) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL2488965 0.82 MIF (0.74) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL2488962 0.82 MIF (0.74) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL6444640 0.79 MIF (1.00) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL6444643 0.79 MIF (1.00) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL13401232 0.79 MIF (0.78) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL5373502 0.78 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL17290220 0.78 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL13903557 0.78 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL5373505 0.78 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227977-A1 Substituted 1,2,5,10-tetrahydropyridazino [4,5-b]quinoline-1,10-dione compounds and methods for the treatment of pain ASTRAZENECA AB (SE) 2005-10-13 US disclosed
EP-1244663-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-08-25 EP disclosed
US-20030176435-A1 Compounds and methods for the treatment of pain ASTRAZENECA AB (SE) 2003-09-18 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 (2 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-20030176435-A1 Compounds and methods for the treatment of pain OPRK1, OPRM1, OPRD1 MIF 4583/4885RAB9A 2281/4885SMN1; SMN2 133/4885
US-20050227977-A1 Substituted 1,2,5,10-tetrahydropyridazino [4,5-b]quinoline-1,10-dione compounds and methods for the treatment of pain QDPR, OPRK1, OPRM1 MIF 4854/4885RAB9A 1809/4885SMN1; SMN2 734/4885

“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.