SCHEMBL3028596

SCHEMBL3028596

Cc1cccc(-c2n[nH]c(=O)c3noc(C)c23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
HTR7 P34969 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.39
PBRM1 Q86U86 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 2/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHEK1 O14757 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 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
SCHEMBL3033106 0.87 PTGS1 (0.50) NOTUMHTR7GPBAR1MAPTALDH1A1
SCHEMBL2821218 0.87 CACNA1F (0.41) NPC1RAB9APOLBMAPTALDH1A1
SCHEMBL3032907 0.87 NOTUM (0.43) NOTUMHTR7GPBAR1NPC1RAB9A
SCHEMBL994138 0.86 MAPT (0.49) MAPTALDH1A1GAASMN1; SMN2CDK8
SCHEMBL3029374 0.85 GAA (0.48) NOTUMGPBAR1NPC1RAB9AMAPT
SCHEMBL3037390 0.83 MAPT (0.40) NOTUMHTR7MAPTALDH1A1GAA
SCHEMBL3039519 0.81 GPR119 (0.48) NPC1RAB9APOLBMAPTALDH1A1
SCHEMBL3036670 0.81 MAP2K4 (0.45) POLBALDH1A1PIM1LRRK2ALK
SCHEMBL4681966 0.80 MAPT (0.38) MAPTALDH1A1GAASMN1; SMN2ROCK1
SCHEMBL3032948 0.79 ALDH1A1 (0.36) MAPTALDH1A1GAASMN1; SMN2ROCK1

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 9 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-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 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-20070197536-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-23 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 (4 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 NOTUM 2910/4885HTR7 951/4885GPBAR1 2513/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B NOTUM 2673/4885HTR7 838/4885GPBAR1 2541/4885
US-20070197536-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease PDE12, PDE4A, PDE7A NOTUM 1145/4885HTR7 736/4885GPBAR1 487/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B NOTUM 2910/4885HTR7 951/4885GPBAR1 2513/4885

“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.