SCHEMBL5045879

SCHEMBL5045879

Cc1c(C(=O)NCC2CCCCC2)cc(-c2csc(-c3cnccn3)n2)n1CC1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CDC25C P30307 1/20 0.38
DUSP3 P51452 1/20 0.38
EPHX2 P34913 1/20 0.38
HPGD P15428 2/20 0.37
RXFP1 Q9HBX9 5/20 0.37
KMT2A Q03164 2/20 0.37
EIF4E P06730 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ROCK1 Q13464 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
SCHEMBL5044141 0.92 KLKB1 (0.48) KLKB1KLK1HDAC1HDAC8HDAC6
SCHEMBL5047650 0.89 KLKB1 (0.45) KLKB1KLK1KDM4EHSD17B10CDC25A
SCHEMBL5047848 0.88 KLKB1 (0.44) KLKB1KLK1KDM4EHSD17B10CDC25A
SCHEMBL5044790 0.87 KDM4E (0.46) KLKB1KLK1KDM4EHSD17B10CDC25A
SCHEMBL5048938 0.86 KLKB1 (0.46) KLKB1KLK1HDAC1HDAC8HDAC6
SCHEMBL5039592 0.86 CDC25A (0.44) KDM4ECDC25ACDC25BCDC25CDUSP3
SCHEMBL5043868 0.85 KLKB1 (0.46) KLKB1KLK1KMT2AMEN1ALDH1A1
SCHEMBL5047659 0.85 ALDH1A1 (0.42) KLKB1KLK1KDM4EHSD17B10CDC25A
SCHEMBL5039299 0.85 EIF4E (0.41) KDM4ECDC25ACDC25BCDC25CDUSP3
SCHEMBL5039321 0.84 KLKB1 (0.45) KLKB1KLK1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R KLKB1 3949/4885KLK1 3547/4885KDM4E 2916/4885

“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.