SCHEMBL4240356

SCHEMBL4240356

Nc1cc(C(=O)O)n[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 15/20 0.52
DAO P14920 1/20 0.52
HCAR3 P49019 3/20 0.47
CYTH3 O43739 1/20 0.47
BTK Q06187 1/20 0.47
EPN1 Q9Y6I3 1/20 0.47
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 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
SCHEMBL930682 0.81
SCHEMBL27087481 0.76 HCAR2 (0.52) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL30991131 0.76 HCAR2 (0.52) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL31464892 0.72 HCAR2 (0.47) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL27087494 0.72 HCAR2 (0.61) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL165390 0.72
SCHEMBL165389 0.70
SCHEMBL70577 0.70 HCAR2 (0.59) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL5599765 0.69 HCAR2 (0.53) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL3768295 0.68 ADORA3 (0.58) HCAR2DAOCYTH3BTKEPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-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 HCAR2 703/4885DAO 903/4885HCAR3 682/4885

“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.