SCHEMBL3029014

SCHEMBL3029014

CCOC(=O)c1noc(C)c1C(=O)c1cccc(C(=O)OC)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
ALDH1A1 P00352 4/20 0.53
HIF1A Q16665 1/20 0.43
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41

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
SCHEMBL3036700 0.88 HTT (0.56) HTTALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL3032698 0.87 ALDH1A1 (0.54) HTTALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL3022650 0.87 ELANE (0.53) HTTALDH1A1MAPTRAB9AKDM4E
SCHEMBL2822374 0.86 HTT (0.55) HTTALDH1A1RAB9AKDM4ENPC1
SCHEMBL27641421 0.86 LMNA (0.46) HTTALDH1A1HIF1AMAPTRAB9A
SCHEMBL3038660 0.85 HTT (0.69) HTTALDH1A1MAPTTP53NPC1
SCHEMBL994810 0.84 HTT (0.54) HTTALDH1A1MAPTRAB9ANPC1
SCHEMBL3032322 0.79 ALDH1A1 (0.53) HTTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3038647 0.79 ALDH1A1 (0.49) HTTALDH1A1MAPTTP53KDM4E
SCHEMBL1374393 0.79 ALDH1A1 (0.53) HTTALDH1A1MAPTTP53NPC1

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-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 US disclosed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 US disclosed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 US disclosed
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP disclosed
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 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 (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-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B HTT 4717/4885ALDH1A1 444/4885HIF1A 3938/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B HTT 4720/4885ALDH1A1 451/4885HIF1A 3957/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B HTT 4717/4885ALDH1A1 444/4885HIF1A 3938/4885

“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.