SCHEMBL6444643

SCHEMBL6444643

CC(C)(C)OC(=O)NN=Cc1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 1.00
RAB9A P51151 6/20 0.76
SMN1; SMN2 Q16637 5/20 0.76
NPC1 O15118 4/20 0.76
RECQL P46063 1/20 0.76
MAPT P10636 6/20 0.74
KDM4E B2RXH2 3/20 0.67
LMNA P02545 3/20 0.60
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 1/20 0.58
ESRRG P62508 1/20 0.57
GFER P55789 1/20 0.57
MEN1 O00255 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL6444640 1.00 MIF (1.00) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL13401232 0.88 MIF (0.78) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL13903557 0.86 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL5373502 0.86 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL17290220 0.86 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL14902404 0.86 RAB9A (1.00) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL5373505 0.86 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL6443003 0.86 MIF (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL6423387 0.86 MAPT (0.76) MIFRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL12979794 0.86 MAPT (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 12 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
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1244663-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-08-25 EP disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
US-20030176435-A1 Compounds and methods for the treatment of pain ASTRAZENECA AB (SE) 2003-09-18 US disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
EP-1244663-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2002-10-02 EP disclosed
EP-0905134-B1 Piperidine derivatives as LTD4 and H1 antagonists KOWA CO (JP) 2002-01-16 EP disclosed
WO-2001047923-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 WO disclosed
EP-0905134-A1 Piperidine derivatives as LTD4 and H1 antagonists KOWA COMPANY, LTD. (JP) 1999-03-31 EP disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP 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 (3 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
US-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 MIF 3796/4885RAB9A 362/4885SMN1; SMN2 1200/4885

“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.