SCHEMBL4183802

SCHEMBL4183802

O=C1NN(c2ccccc2)CC(Cl)=C1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.44
G6PD P11413 2/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8556304 0.85 ALOX5 (0.54) ALOX5GAAHTTKDM4EMAPT
SCHEMBL11333725 0.83 ALOX5 (0.42) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL8559719 0.83 ALOX5 (0.47) ALOX5ALOX15HTTKDM4EMAPT
SCHEMBL8557804 0.83 POLB (0.37) ALOX5GAAL3MBTL1
SCHEMBL9637542 0.80 TRIM24 (0.39) ALOX5KDM4E
SCHEMBL8557134 0.78 ADAM17 (0.41) MAPT
SCHEMBL7253419 0.77 ALOX5 (0.50) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL11014481 0.71 ALOX5 (0.49) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL28045525 0.68 FAAH (0.43) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL4544222 0.67 ALOX5 (0.67) ALOX5G6PDALOX15ALOX12PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 US disclosed
US-7115591-B2 Pyridazinone compounds as cyclooxygenase [COX] 2 inhibitorsfor gastrointestinal disorders ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-7001895-B2 Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LABORATORIES (US) 2006-02-21 US disclosed
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 US disclosed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US 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-1007515-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS Abbott Laboratories (US) 2000-06-14 EP disclosed
WO-1999010331-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-03-04 WO disclosed
EP-0756598-B1 SUBSTITUTED 5,6-DIHYDRO-5-OXO-1,4-DITHIINO-(2,3-D)-PYRIDAZINE-2,3-DICARBONITRILES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIALS DOW CHEMICAL CO (US) 1998-09-16 EP disclosed
EP-0756598-A1 SUBSTITUTED 5,6-DIHYDRO-5-OXO-1,4-DITHIINO-(2,3-D)-PYRIDAZINE-2,3-DICARBONITRILES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIALS THE DOW CHEMICAL COMPANY (a Delaware corporation) (US) 1997-02-05 EP disclosed
US-5488051-A BACTERICIDES, FUNGICIDES, ALGICIDES AND ANTIPROTOZOA AGENTS THE DOW CHEMICAL COMPANY (US) 1996-01-30 US disclosed
WO-1995029181-A1 SUBSTITUTED 5,6-DIHYDRO-5-OXO-1,4-DITHIINO-(2,3-D)-PYRIDAZINE-2,3-DICARBONITRILES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIALS THE DOW CHEMICAL COMPANY (US) 1995-11-02 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 (5 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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALOX5 25/4885G6PD 213/4885ALOX15 19/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALOX5 22/4885G6PD 230/4885ALOX15 18/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 ALOX5 19/4885G6PD 218/4885ALOX15 18/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALOX5 22/4885G6PD 230/4885ALOX15 18/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALOX5 22/4885G6PD 230/4885ALOX15 18/4885

“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.