SCHEMBL4054635

SCHEMBL4054635

CCOC(=O)c1nocc1C(=O)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ POLB P06746 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ PAX8 Q06710 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ CYP1A2 P05177 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
SCHEMBL4050518 0.88 POLB (0.52) ELANESMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL4060790 0.85 ELANE (0.46) ELANESMN1; SMN2HTTLMNAALDH1A1
SCHEMBL5750757 0.85 ALDH1A1 (0.53) ELANESMN1; SMN2POLBHTTALDH1A1
SCHEMBL27674488 0.81 IGFBP3 (0.45) POLBALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL3038660 0.80 HTT (0.69) ELANESMN1; SMN2POLBTDP1HTT
SCHEMBL9587202 0.78 TRPM8 (0.50) ELANESMN1; SMN2POLBTDP1HTT
SCHEMBL23461557 0.76 HTT (0.50) ELANESMN1; SMN2POLBTDP1HTT
SCHEMBL641903 0.76 POLB (0.62) ELANESMN1; SMN2POLBTDP1LMNA
SCHEMBL31237097 0.76 POLB (0.62) ELANESMN1; SMN2POLBTDP1LMNA
SCHEMBL3978092 0.76 JAK2 (0.55) SMN1; SMN2POLBTDP1HTTLMNA

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 4 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
EP-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 — — EP disclosed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 — — 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-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 ELANE 352/4885SMN1; SMN2 4800/4885POLB 554/4885

“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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