SCHEMBL4852086

SCHEMBL4852086

O=C(O)c1cc(-c2ccc(O)cc2)nn(Cc2ccc(Cl)cc2Cl)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
SLC16A3 O15427 2/20 0.47
SLC16A1 P53985 2/20 0.47
MCTS1 Q9ULC4 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP2C9 P11712 2/20 0.47
HIF1A Q16665 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
PMP22 Q01453 1/20 0.47
MARS1 P56192 3/20 0.45
TP53 P04637 2/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 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
SCHEMBL8367181 0.79 MARS1 (0.65) NPC1SLC16A3SLC16A1MCTS1NPSR1
Hydrochloric Acid SCHEMBL8364783 0.78 MARS1 (0.64) NPC1SLC16A3SLC16A1MCTS1NPSR1
SCHEMBL7724936 0.77 MALT1 (0.44) NPC1SLC16A3SLC16A1MCTS1TP53
SCHEMBL7723449 0.76 MAPT (0.53) NPC1TSHRTP53ALDH1A1HPGD
SCHEMBL8364781 0.74 MARS1 (0.53) NPC1SLC16A3SLC16A1MCTS1NPSR1
SCHEMBL5584857 0.74 CNR2 (0.46) SLC16A3SLC16A1MCTS1TP53MEN1
SCHEMBL8366607 0.73 MARS1 (0.52) NPC1SLC16A3SLC16A1MCTS1NPSR1
SCHEMBL27624041 0.73 TP53 (0.42) NPC1SLC16A3SLC16A1MCTS1NPSR1
SCHEMBL5379492 0.72 SLC16A3 (0.44) SLC16A3SLC16A1MCTS1MARS1TP53
SCHEMBL27624089 0.71 CNR2 (0.43) NPSR1CYP2C9CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 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 (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-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A NPC1 1062/4885SLC16A3 3221/4885SLC16A1 3248/4885

“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.