SCHEMBL4056920

SCHEMBL4056920

CCOC(=O)c1c(-c2ccccc2)nn(C(C)I)c(=O)c1Nc1csc2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4058375 0.87 PDE4B (0.48) MAPTL3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL4055299 0.78 PDE4B (0.42) KDM4EHPGDSMN1; SMN2RAB9APDE4A
SCHEMBL4052197 0.77 PDE4B (0.52) KDM4EHPGDSMN1; SMN2PDE4APDE4B
SCHEMBL1654313 0.76 PDE4B (0.58) KDM4EHPGDSMN1; SMN2PDE4APDE4B
SCHEMBL4056922 0.72 PDE4B (0.48) SMN1; SMN2RAB9APDE4APDE4BPDE4C
SCHEMBL4057463 0.70 PDE4B (0.49) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL4050022 0.67 GAA (0.44) MAPTKDM4EHPGDPDE4APDE4B
SCHEMBL4048555 0.66 PDE4B (0.48) MAPTL3MBTL1KDM4ESMN1; SMN2PDE4A
SCHEMBL4051720 0.66 PDE4B (0.38) MAPTKDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL4054079 0.66 PDE4B (0.50) SMN1; SMN2RAB9APDE4APDE4BPDE4C

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 1 patent. 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 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 MAPT 2914/4885L3MBTL1 4598/4885KDM4E 275/4885

“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.