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
SCHEMBL27087494 0.72 HCAR2 (0.61) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL31464892 0.72 HCAR2 (0.47) 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.

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