SCHEMBL1996540

SCHEMBL1996540

CCn1nc(C(=O)OCC2CC2)c(C(C)=O)c(N)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
USP2 O75604 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
PDE4A P27815 4/20 0.34
PDE4B Q07343 4/20 0.34
PDE4C Q08493 4/20 0.34
PDE4D Q08499 4/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
JMJD6 Q6NYC1 1/20 0.33

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
SCHEMBL1996657 0.85 ALDH1A1 (0.46) GAAALDH1A1PDE4APDE4BPDE4C
SCHEMBL1997382 0.81 PDE4B (0.38) MAPK1USP2MAPTALDH1A1HTT
SCHEMBL1997065 0.81 TP53 (0.37) POLBTSHRMAPK1GAAUSP2
SCHEMBL1997797 0.80 GAA (0.39) POLBTSHRMAPK1GAAUSP2
SCHEMBL1993161 0.80 PDE4A (0.35) TSHRMAPK1USP2MAPTALDH1A1
SCHEMBL2000653 0.79 ALDH1A1 (0.41) POLBTSHRMAPK1GAAUSP2
SCHEMBL1999227 0.79 PDE4A (0.34) POLBTSHRMAPK1USP2MAPT
SCHEMBL1994031 0.79 MAPT (0.48) POLBTSHRMAPK1GAAMAPT
SCHEMBL1994634 0.78 ALDH1A1 (0.36) POLBMAPK1USP2MAPTALDH1A1
SCHEMBL1995068 0.77 MAPT (0.48) MAPK1USP2MAPTALDH1A1HTT

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-7960383-B2 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 SA (ES) 2011-06-14 US disclosed
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP disclosed
US-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors ALMIRALL PRODESFARMA, SA (ES) 2008-11-13 US disclosed
EP-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 EP disclosed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 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 (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-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors PDE12, PDE4A, PDE4B POLB 1003/4885TSHR 2798/4885MAPK1 1255/4885

“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.