SCHEMBL6181124

SCHEMBL6181124

COP(=O)(Cc1ccc(SC)cc1)OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.42
MAOA P21397 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 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
SCHEMBL2037665 0.85 KLK8 (0.36) LMNAMEN1CYP2C19KMT2A
SCHEMBL1486884 0.81 NPY5R (0.40) SLC6A4MAOASLC6A2SLC6A3
SCHEMBL7043203 0.79 PTK2 (0.39) ALDH1A1LMNAMEN1KMT2A
SCHEMBL8958940 0.78 AGXT (0.40) LMNAGAAMEN1CYP1A2CYP3A4
SCHEMBL13624524 0.78 SMN1; SMN2 (0.44) ALDH1A1CYP2C19
SCHEMBL5870639 0.76 ALDH1A1 (0.40) SLC6A4SLC6A2SLC6A3ALDH1A1ALOX15
SCHEMBL10253270 0.76 CALM1 (0.41) MEN1KMT2A
SCHEMBL22750793 0.76 PTK2 (0.34) MEN1KMT2A
SCHEMBL22762193 0.76 PPARG (0.38)
SCHEMBL914693 0.76 FDPS (0.41) MAOAALDH1A1MEN1CYP3A4KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919353-B2 Substituted 8-arylquinolune PDE4 inhibitors MERCK FROSST CANADA & CO. (CA) 2005-07-19 US disclosed
EP-1404330-B1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC (CA) 2005-06-01 EP disclosed
US-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2004-08-19 US disclosed
EP-1404330-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-04-07 EP disclosed
WO-2003002118-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-01-09 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-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors PDE12, PDE4A, PDE4B SLC6A4 2335/4885MAOA 640/4885SLC6A2 3965/4885

“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.