SCHEMBL6233458

SCHEMBL6233458

O=c1cc(OCc2ccccc2)cnn1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.57
MCHR1 Q99705 14/20 0.57
PTGS1 P23219 1/20 0.48
FAAH O00519 2/20 0.47
MGLL Q99685 2/20 0.47

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
SCHEMBL8783353 0.85 PTGS1 (0.45) MAPK14MCHR1PTGS1
SCHEMBL8783937 0.83 PTGS1 (0.47) MAPK14MCHR1PTGS1
SCHEMBL1367357 0.79 MCHR1 (0.54) MCHR1
SCHEMBL3128916 0.79 PTGS1 (0.46) MCHR1PTGS1
SCHEMBL1367461 0.79 MCHR1 (0.52) MAPK14MCHR1
SCHEMBL9299413 0.79 HPGD (0.50)
SCHEMBL3602607 0.79 PTGS1 (0.46) MCHR1PTGS1
SCHEMBL8963472 0.79 PTGS1 (0.48) MAPK14MCHR1PTGS1
SCHEMBL8783376 0.78 PTGS1 (0.56) PTGS1
SCHEMBL1364654 0.77 MCHR1 (0.77) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 US claimed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 US claimed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 US claimed
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 US disclosed
WO-2005007632-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 PHARMACIA CORPORATION (US) 2005-01-27 WO disclosed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 US disclosed
EP-1470112-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 Pharmacia Corporation (US) 2004-10-27 EP disclosed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 US disclosed
WO-2003059891-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 PHARMACIA CORPORATION (US) 2003-07-24 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 (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-20040142932-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 29/4885MCHR1 4315/4885PTGS1 224/4885
US-20050020594-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 34/4885MCHR1 4425/4885PTGS1 273/4885
US-20050256122-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 34/4885MCHR1 4425/4885PTGS1 273/4885

“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.