SCHEMBL5757658

SCHEMBL5757658

O=C(O)c1c(C(=O)N2CCCC2)[nH]c2cc(Cl)ccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.58
MAP2 P11137 1/20 0.48
MAPT P10636 1/20 0.47
ALOX5 P09917 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MDM2 Q00987 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
MAT2A P31153 2/20 0.43
GPR17 Q13304 1/20 0.43

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
SCHEMBL6388357 0.86 ALPL (0.45) PTGS2ALOX5KDM4EHPGDMAPK1
SCHEMBL6594963 0.82 PTGS2 (0.57) PTGS2MAP2MAPTALOX5HRH4
SCHEMBL6994667 0.74 HRH4 (0.64) PTGS2HRH4HRH3KDM4EMEN1
SCHEMBL6384274 0.74 PDE1A (0.51) PTGS2MAPTKDM4ELMNAHPGD
SCHEMBL10857861 0.73 PTGS2 (0.49) PTGS2MAPTHRH4HRH3KDM4E
SCHEMBL3099150 0.72 HPGD (0.50) PTGS2MAPTKDM4EHPGDMAPK1
SCHEMBL6233791 0.71 NR4A2 (0.52) GPR17
SCHEMBL25209836 0.69 LMNA (0.49) KDM4EMEN1LMNACYP2C9HPGD
SCHEMBL25199951 0.68 LMNA (0.48) MDM2KDM4EMEN1LMNACYP2C9
SCHEMBL25200779 0.68 KDM4E (0.45) MDM2KDM4EMEN1LMNACYP2C9

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792273-B1 BICYCLIC OXAZINE AND THIAZINE OXAZOLIDINONE ANTIBACTERIALS UPJOHN CO (US) 2003-03-05 EP claimed
EP-1325003-B1 7-CHLORO-4-HYDROXY-2-(2-PYRIDYLETHYL)-1,2,5,10-TETRAHYDROPYRIDAZINO 4,5-B|QUINOLINE-1,10-DIONE AND THE USE THEREOF FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-08-02 EP disclosed
EP-1325002-B1 1,2,5,10-TETRAHYDROPYRIDAZINO¬4,5-B|QUINOLINE-1,10-DIONES AND THEIR USE FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-05-24 EP disclosed
EP-1244660-B1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-03-22 EP disclosed
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-1577311-A1 Salts of a pyridazino aquinoline derivative and use for the treatment of pain AstraZeneca AB (SE) 2005-09-21 EP disclosed
US-6946463-B2 1,2,5,10-tetrahydropyridazino[4,5-b]quinoline-1,10-diones and their use for the treatment of pain ASTRAZENECA AB (SE) 2005-09-20 US disclosed
US-6943165-B2 Compound and method for the treatment of pain ASTRAZENECA AB (SE) 2005-09-13 US disclosed
US-6933297-B2 7-chloro-4-hydroxy-2-(2-pyridylethyl)-1,2,5,10-tetrahydropyridazino[4,5-b]quinoline-1,10-dione and the use thereof for the treatment of pain ASTRAZENECA AB (CH) 2005-08-23 US disclosed
US-20050124622-A1 Compounds and methods for the treatment of pain BROWN DEAN G (US) 2005-06-09 US disclosed
WO-2002026738-A1 1,2,5,10-TETRAHYDROPYRIDAZINO[4,5-b]QUINOLINE-1,10-DIONES AND THEIR USE FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-04-04 WO disclosed
WO-2002026740-A1 7-CHLORO-4-HYDROXY-2-(2-PYRIDYLETHYL)-1,2,5,10-TETRAHYDROPYRIDAZINO[4,5-B]QUINOLINE-1,10-DIONE AND THE USE THEREOF FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-04-04 WO disclosed
WO-2002026741-A1 1,2,5,10-TETRAHYDROPYRIDAZINO[4,5-b]QUINOLINE-1,10-DIONES AND THEIR USE FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-04-04 WO disclosed
WO-2001047925-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 WO disclosed
WO-2001047923-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 WO disclosed
WO-2001047924-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 WO disclosed
WO-2001047926-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 WO disclosed
WO-2001047523-A1 METHOD AND COMPOSITION FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 WO disclosed
WO-2001047524-A1 METHOD AND COMPOSITION FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 WO disclosed
WO-2001047927-A1 COMPOUND AND METHOD FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 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-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 PTGS2 308/4885MAP2 1369/4885MAPT 316/4885

“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.