SCHEMBL1996708

SCHEMBL1996708

CCn1nc(C(=O)OCc2ccc(Br)cc2)cc(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.46
PDE4B Q07343 4/20 0.39
HDAC6 Q9UBN7 1/20 0.37
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL5607826 0.94 TRPV1 (0.47) TRPV1PDE4BKMT2ASMN1; SMN2MEN1
SCHEMBL2001626 0.93 TRPV1 (0.39) TRPV1PDE4BKMT2ASMN1; SMN2MEN1
SCHEMBL1995971 0.91 TRPV1 (0.43) TRPV1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL1997921 0.87 CDC25B (0.44) PDE4BKMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL1998635 0.87 ALDH1A1 (0.41) TRPV1PDE4BKMT2ASMN1; SMN2LMNA
SCHEMBL2001436 0.87 TRPV1 (0.42) TRPV1PDE4BKMT2ASMN1; SMN2MEN1
SCHEMBL1997694 0.86 ALDH1A1 (0.35) TRPV1PDE4BKMT2ASMN1; SMN2MEN1
SCHEMBL1994821 0.86 CYP2D6 (0.42) TRPV1PDE4BKMT2ASMN1; SMN2ADORA1
SCHEMBL1997048 0.86 POLB (0.43) TRPV1SMN1; SMN2LMNAADORA1ADORA2A
SCHEMBL1997933 0.84 PDE4B (0.39) PDE4BADORA1ADORA2AADORA2BKDM4E

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 8 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
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP claimed
US-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors ALMIRALL PRODESFARMA, SA (ES) 2008-11-13 US 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 1721/4885PDE4B 3/4885HDAC6 381/4885

“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.