SCHEMBL4051228

SCHEMBL4051228

CCOC(=O)COC(=O)c1c(-c2cccs2)nn(CC)c(=O)c1Nc1cncc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
RECQL P46063 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 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
SCHEMBL4053146 0.94 ADORA1 (0.43) ADORA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4051184 0.93 HTT (0.39) ADORA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4052552 0.90 ADORA1 (0.37) ADORA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4048802 0.90 ADORA1 (0.37) ADORA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4059427 0.89 ADORA1 (0.41) ADORA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4057121 0.88 ADORA1 (0.40) ADORA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4052382 0.88 ADORA1 (0.40) ADORA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4053830 0.87 RECQL (0.37) ALDH1A1POLBSMN1; SMN2RECQLHTT
SCHEMBL4053868 0.87 ALDH1A1 (0.40) ADORA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4057540 0.86 ADORA1 (0.45) ADORA1ALDH1A1HPGDHSD17B10KDM4E

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-20090029996-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) 2009-01-29 US claimed
US-20090029996-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) 2009-01-29 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-20090029996-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, PDE4B ADORA1 311/4885ALDH1A1 324/4885HPGD 316/4885

“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.