SCHEMBL4178364

SCHEMBL4178364

COc1cnn(Cc2ccccc2)c(=O)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
HTT P42858 6/20 0.62
HSD17B10 Q99714 1/20 0.62
NPBWR1 P48145 7/20 0.60
NR2E3 Q9Y5X4 1/20 0.53
NPSR1 Q6W5P4 5/20 0.52
LMNA P02545 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.48
PPARG P37231 2/20 0.48
NCOA2 Q15596 2/20 0.48
NCOA1 Q15788 2/20 0.48
GAA P10253 1/20 0.48
PKM P14618 2/20 0.48

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
SCHEMBL14844510 0.87 NPBWR1 (0.67) ALDH1A1HTTNPBWR1NPSR1SMN1; SMN2
SCHEMBL7816646 0.87 ALDH1A1 (0.50) ALDH1A1HTTHSD17B10NPBWR1NR2E3
SCHEMBL15884968 0.85 ALDH1A1 (0.47) ALDH1A1HTTHSD17B10NPBWR1NR2E3
SCHEMBL18980262 0.85 POLB (0.70) ALDH1A1NPBWR1NPSR1SMN1; SMN2MAPT
SCHEMBL4178254 0.84 ALDH1A1 (0.61) ALDH1A1HTTHSD17B10NPBWR1NR2E3
SCHEMBL4383612 0.82 NPBWR1 (0.75) ALDH1A1HTTHSD17B10NPBWR1NPSR1
SCHEMBL20463265 0.82 NPBWR1 (0.60) ALDH1A1HTTHSD17B10NPBWR1
SCHEMBL18454995 0.80 HTT (0.59) ALDH1A1HTTHSD17B10NPBWR1NR2E3
SCHEMBL981480 0.80 KMT2A (0.54) ALDH1A1HTTHSD17B10NPBWR1NPSR1
SCHEMBL1691901 0.80 HTT (0.71) ALDH1A1HTTNPBWR1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 US claimed
JP-2005519895-A 2005-07-07 JP claimed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 US claimed
EP-1470112-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 Pharmacia Corporation (US) 2004-10-27 EP claimed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 US claimed
WO-2003059891-A1 SUBSTITUTED PYRIDAZINONES AS INHIBITORS OF P38 PHARMACIA CORPORATION (US) 2003-07-24 WO claimed
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 US disclosed
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
EP-1007515-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS Abbott Laboratories (US) 2000-06-14 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
WO-1999010331-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-03-04 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 (6 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-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885HTT 4802/4885HSD17B10 239/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 ALDH1A1 276/4885HTT 4796/4885HSD17B10 234/4885
US-20040142932-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 ALDH1A1 1889/4885HTT 3970/4885HSD17B10 2478/4885
US-20050020594-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 ALDH1A1 2217/4885HTT 3840/4885HSD17B10 2532/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885HTT 4802/4885HSD17B10 239/4885
US-20050256122-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 ALDH1A1 2217/4885HTT 3840/4885HSD17B10 2532/4885

“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.