SCHEMBL3029579

SCHEMBL3029579

O=[N+]([O-])c1cnc(O)c2cnccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIPK2 Q9H2X6 1/20 0.47
MAPT P10636 9/20 0.44
HTT P42858 5/20 0.44
LMNA P02545 4/20 0.42
POLB P06746 1/20 0.42
CHUK O15111 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CTSB P07858 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSP90AA1 P07900 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
NPC1 O15118 1/20 0.40
BRD4 O60885 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL4470384 0.81 CTSB (0.55) MAPTHTTLMNAPOLBALDH1A1
SCHEMBL11817125 0.78 MAPT (0.64) HIPK2MAPTHTTLMNAPOLB
SCHEMBL5921938 0.78 CTSB (0.61) HIPK2MAPTHTTLMNAPOLB
SCHEMBL21437204 0.77 MAPT (0.48) HIPK2MAPTHTTLMNAPOLB
SCHEMBL28946141 0.75 MAPT (0.42) HIPK2MAPTHTTLMNAPOLB
SCHEMBL5802254 0.72 ALDH1A1 (0.46) HIPK2MAPTHTTLMNAPOLB
SCHEMBL619318 0.71 MAPT (0.52) HIPK2MAPTHTTLMNAPOLB
SCHEMBL13483429 0.71 MAPT (0.52) HIPK2MAPTHTTLMNAPOLB
SCHEMBL3577339 0.71 MAPT (0.52) HIPK2MAPTHTTLMNAPOLB
SCHEMBL1351778 0.71 MAPT (0.56) HIPK2MAPTHTTLMNAPOLB

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 7 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
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 HIPK2 2138/4885MAPT 4154/4885HTT 4717/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B HIPK2 2141/4885MAPT 4236/4885HTT 4720/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B HIPK2 2138/4885MAPT 4154/4885HTT 4717/4885

“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.