SCHEMBL4045814

SCHEMBL4045814

CC(C)c1cc(-c2cccc(OCc3ccc(-c4csnn4)cc3)c2)c2ncccc2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.48
PDE4B Q07343 18/20 0.48
PDE4C Q08493 18/20 0.48
PDE4D Q08499 18/20 0.48
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE5A O76074 1/20 0.43
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4035749 0.84 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL13849034 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4040406 0.81 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4041809 0.80 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4039534 0.80 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4041549 0.80 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4040391 0.80 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4038293 0.78 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL13848950 0.77 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4037709 0.76 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A

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
EP-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
EP-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
US-7144896-B2 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-12-05 US disclosed
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-11-03 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-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885

“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.