SCHEMBL4042450

SCHEMBL4042450

CCOC(=O)C(Cl)c1ccc(SC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
SLC6A4 P31645 1/20 0.43
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 1/20 0.41
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
HSD17B10 Q99714 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ATM Q13315 1/20 0.37
ACACB O00763 1/20 0.37
POLB P06746 1/20 0.37
MMP8 P22894 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
SCHEMBL11832493 0.95 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTSLC6A4LMNA
SCHEMBL13014972 0.82 MEN1 (0.46) ALDH1A1LMNAKMT2ATSHRMEN1
SCHEMBL4038007 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTSLC6A4LMNA
SCHEMBL27537598 0.81 CA12 (0.48) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL6180785 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTSLC6A4LMNA
SCHEMBL3801842 0.79 MAPT (0.46) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL30062331 0.79 MMP8 (0.56) SLC6A4LMNAKMT2ATSHRMEN1
SCHEMBL287308 0.79 MMP8 (0.56) SLC6A4LMNAKMT2ATSHRMEN1
SCHEMBL6938602 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTSLC6A4LMNA
SCHEMBL11847293 0.78 MEN1 (0.43) ALDH1A1KDM4EMAPTLMNAKMT2A

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
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
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 ALDH1A1 1179/4885KDM4E 135/4885MAPT 3023/4885

“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.