SCHEMBL4037185

SCHEMBL4037185

CC(C)c1cc(-c2cccc(SCc3ccccc3)c2)c2ncccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.55
PDE4B Q07343 15/20 0.55
PDE4C Q08493 15/20 0.55
PDE4D Q08499 15/20 0.55
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PSMD14 O00487 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
AGTR1 P30556 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C9 P11712 2/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL4037954 0.93 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4041210 0.86 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4040537 0.83 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL5257490 0.82 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7448426 0.82 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL4027089 0.80 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4025781 0.80 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4035749 0.80 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
Bromide SCHEMBL4031335 0.79 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4046438 0.78 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DCYP2C9

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 8 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
EP-2059563-A2 FLUORO-SUBSTITUTED BENZOXAZOLE POLYMETHINE DYES GE Healthcare UK Limited (GB) 2009-05-20 EP disclosed
WO-2008040994-A2 FLUORO-SUBSTITUTED BENZOXAZOLE POLYMETHINE DYES GE HEALTHCARE UK LIMITED (GB) 2008-04-10 WO 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
EP-1487797-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-12-22 EP disclosed
WO-2003078397-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-25 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-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.