SCHEMBL5493090

SCHEMBL5493090

CCCCCCC#CCn1nc(-c2ccccn2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.46
CES1 P23141 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL13649476 1.00 FAAH (0.46) FAAHCES1L3MBTL1HSD17B10ADORA2A
SCHEMBL13649498 0.85 KDM4E (0.38) L3MBTL1HSD17B10ADORA2AADORA1CYP1A2
SCHEMBL13656539 0.83 HSD17B10 (0.46) HSD17B10
SCHEMBL13656401 0.83 HSD17B10 (0.46) HSD17B10
SCHEMBL13656469 0.80 PTGS2 (0.47) L3MBTL1HSD17B10ADORA2AADORA1CYP1A2
SCHEMBL3410006 0.78 FAAH (0.32) FAAHCES1HSD17B10
SCHEMBL5497539 0.78 MEN1 (0.54) HSD17B10CYP2C9CYP2C19
Dipyridyl SCHEMBL28135789 0.71 KDM4E (0.64) L3MBTL1HSD17B10CYP1A2CYP2D6CYP19A1
SCHEMBL13649477 0.70 MEN1 (0.37) L3MBTL1HSD17B10
SCHEMBL23479895 0.70 PDE4A (0.45) L3MBTL1HSD17B10CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553831-A4 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2007-11-07 EP claimed
EP-1553831-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS Dow Agrosciences LLC (US) 2005-07-20 EP claimed
US-20050095663-A1 Process for screening fungitoxic compounds YOUNG DAVID H (US) 2005-05-05 US claimed
WO-2003106385-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2003-12-24 WO claimed
EP-0760208-B1 Compositions having synergistic fungitoxic effects ROHM & HAAS (US) 2001-05-30 EP claimed
US-5741793-A PYRIDAZINONE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 1998-04-21 US claimed
EP-0760208-A2 Compositions having synergistic fungitoxic effects ROHM AND HAAS COMPANY (US) 1997-03-05 EP claimed
US-8426412-B2 2-alkynyl-6-pyridin-2-yl-pyridazinones, 2-alkynyl-6-pyridin-2-yl-dihydropyridazinones, 2-alkynyl-6-pyrimidin-2-yl-pyridazinones and 2-alkynyl-6-pyrimidin-2-yl-dihydropyridazinones and their use as fungicides DOW AGROSCIENCES, LLC. (US) 2013-04-23 US disclosed
US-8426412-B2 2-alkynyl-6-pyridin-2-yl-pyridazinones, 2-alkynyl-6-pyridin-2-yl-dihydropyridazinones, 2-alkynyl-6-pyrimidin-2-yl-pyridazinones and 2-alkynyl-6-pyrimidin-2-yl-dihydropyridazinones and their use as fungicides DOW AGROSCIENCES, LLC. (US) 2013-04-23 US disclosed
US-20090253708-A1 2-ALKYNYL-6-PYRIDIN-2-YL-PYRIDAZINONES, 2-ALKYNYL-6-PYRIDIN-2-YL-DIHYDROPYRIDAZINONES, 2-ALKYNYL-6-PYRIMIDIN-2-YL-PYRIDAZINONES AND 2-ALKYNYL-6-PYRIMIDIN-2-YL-DIHYDROPYRIDAZINONES AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2009-10-08 US disclosed
EP-1553831-A4 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2007-11-07 EP disclosed
EP-1553831-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS Dow Agrosciences LLC (US) 2005-07-20 EP disclosed
US-20050095663-A1 Process for screening fungitoxic compounds YOUNG DAVID H (US) 2005-05-05 US disclosed
WO-2003106385-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2003-12-24 WO disclosed
EP-0760208-B1 Compositions having synergistic fungitoxic effects ROHM & HAAS (US) 2001-05-30 EP disclosed
US-5741793-A PYRIDAZINONE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 1998-04-21 US disclosed
EP-0760208-A2 Compositions having synergistic fungitoxic effects ROHM AND HAAS COMPANY (US) 1997-03-05 EP 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-20090253708-A1 2-ALKYNYL-6-PYRIDIN-2-YL-PYRIDAZINONES, 2-ALKYNYL-6-PYRIDIN-2-YL-DIHYDROPYRIDAZINONES, 2-ALKYNYL-6-PYRIMIDIN-2-YL-PYRIDAZINONES AND 2-ALKYNYL-6-PYRIMIDIN-2-YL-DIHYDROPYRIDAZINONES AND THEIR USE AS FUNGICIDES PDXK, DPM1, PNPO FAAH 2439/4885CES1 3183/4885L3MBTL1 1911/4885

“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.