SCHEMBL2000588

SCHEMBL2000588

CCn1nc(C(=O)OCCNCCc2ccccc2)cc(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.38
ALDH1A1 P00352 5/20 0.34
HTT P42858 4/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
NR2F2 P24468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4B Q07343 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
PPP1CA P62136 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2001626 0.87 TRPV1 (0.39) TRPV1ALDH1A1HTTMAPK1MAPT
SCHEMBL1999854 0.86 NPC1 (0.39) ALDH1A1NPC1MAPTSMN1; SMN2PDE4B
SCHEMBL1997921 0.85 CDC25B (0.44) ALDH1A1MAPK1KDM4EMAPTSMN1; SMN2
SCHEMBL2000585 0.85 SMN1; SMN2 (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL2001982 0.84 POLR1A (0.40) ALDH1A1KDM4EMAPTPDE4BADORA2A
SCHEMBL1998635 0.83 ALDH1A1 (0.41) TRPV1ALDH1A1HTTMAPK1NPC1
SCHEMBL1995464 0.82 KMT2A (0.46) ALDH1A1MAPK1KDM4ENPC1MAPT
SCHEMBL2001436 0.82 TRPV1 (0.42) TRPV1ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL2825646 0.81 ALDH1A1 (0.40) TRPV1ALDH1A1HTTMAPK1KDM4E
SCHEMBL1999230 0.81 AURKA (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2PDE4B

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-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 claimed
US-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors ALMIRALL PRODESFARMA, SA (ES) 2008-11-13 US claimed
EP-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 EP claimed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO claimed
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 TRPV1 1721/4885ALDH1A1 457/4885HTT 4867/4885

“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.