SCHEMBL3022210

SCHEMBL3022210

COC(=O)c1ccc(N(c2ccc(C(=O)OC)cc2)c2c(C(C)=O)c(-c3cccnc3)nn(CCO)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TBXAS1 P24557 1/20 0.39
MAPK1 P28482 1/20 0.38
PDE4B Q07343 1/20 0.37
GABRA5 P31644 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL3036725 0.92 TBXAS1 (0.47) SLC2A1CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL3029491 0.83 PDE4B (0.55) SLC2A1CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL3036743 0.80 TBXAS1 (0.50) TBXAS1PDE4BSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3035539 0.76 CSF1R (0.53) TBXAS1PDE4BALDH1A1HPGDKMT2A
SCHEMBL3033380 0.76 PDE4B (0.67) SLC2A1CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL3033939 0.74 TBXAS1 (0.47) CYP11B1CYP11B2TBXAS1PDE4BSMN1; SMN2
SCHEMBL4679134 0.74 PDE4B (0.67) TBXAS1MAPK1PDE4BALDH1A1HPGD
SCHEMBL3027414 0.74 TBXAS1 (0.45) TBXAS1PDE4BSMN1; SMN2LMNAALDH1A1
SCHEMBL4710132 0.73 PDE4B (0.42) MAPK1PDE4BSMN1; SMN2LMNAALDH1A1
SCHEMBL3033360 0.70 PDE4B (0.61) SLC2A1CYP19A1CYP11B1CYP11B2TBXAS1

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 10 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 claimed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 US claimed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 US claimed
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 US claimed
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
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 US disclosed
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 EP disclosed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 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-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B SLC2A1 3862/4885CYP19A1 155/4885CYP11B1 44/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B SLC2A1 3577/4885CYP19A1 158/4885CYP11B1 42/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B SLC2A1 3862/4885CYP19A1 155/4885CYP11B1 44/4885

“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.