SCHEMBL6069264

SCHEMBL6069264

CCCCCCN(CC)C(=O)c1cc(-c2csc(C(=O)OCC)n2)n(CCCC)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
PLA2G4A P47712 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
CNR2 P34972 2/20 0.33
LMNA P02545 5/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MAPT P10636 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL5043763 0.94 ALDH1A1 (0.37) MEN1GLAKMT2APLA2G4AALDH1A1
SCHEMBL5039368 0.91 PLA2G4A (0.34) PLA2G4AALDH1A1LMNAHCRTR1HCRTR2
SCHEMBL5043782 0.87 CTSK (0.36) PLA2G4AALDH1A1KDM4ETDP1NPSR1
SCHEMBL5133265 0.85 ALDH1A1 (0.41) MEN1GLAKMT2AALDH1A1KDM4E
SCHEMBL5039641 0.75 ALDH1A1 (0.52) MEN1GLAKMT2AALDH1A1KDM4E
SCHEMBL5045868 0.75 TSHR (0.39) MEN1GLAKMT2AALDH1A1KDM4E
SCHEMBL5043897 0.73 MAPT (0.41) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL5046982 0.71 TSHR (0.42) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL5043762 0.71 ALDH1A1 (0.43) MEN1GLAKMT2AALDH1A1NPSR1
SCHEMBL6068958 0.70 ALDH1A1 (0.41) MEN1GLAKMT2AALDH1A1KDM4E

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
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R MEN1 2160/4885GLA 3968/4885KMT2A 4280/4885

“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.