SCHEMBL5044905

SCHEMBL5044905

COc1ccc(-c2nc(-c3cc(C(=O)NC4CCCCC4)c(C)n3CC3CCCCC3)cs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
CRHBP P24387 1/20 0.58
HTT P42858 1/20 0.58
CRHR2 Q13324 1/20 0.58
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CNR2 P34972 5/20 0.47
CNR1 P21554 5/20 0.47
ABHD6 Q9BV23 2/20 0.47
FAAH O00519 1/20 0.47
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46

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
SCHEMBL5047817 1.00 MEN1 (0.58) MEN1ALDH1A1KMT2ANPSR1MAPT
SCHEMBL5049152 0.99 MEN1 (0.57) MEN1ALDH1A1KMT2ANPSR1MAPT
SCHEMBL5044926 0.98 MEN1 (0.56) MEN1ALDH1A1KMT2ANPSR1MAPT
SCHEMBL5048562 0.90 ALDH1A1 (0.51) MEN1ALDH1A1KMT2ANPSR1MAPT
SCHEMBL6471189 0.90 MAPT (0.50) MEN1ALDH1A1KMT2ANPSR1MAPT
SCHEMBL5047596 0.90 KLKB1 (0.49) MEN1ALDH1A1KMT2ANPSR1MAPT
SCHEMBL5039301 0.89 CDC25A (0.49) MEN1ALDH1A1KMT2ANPSR1MAPT
SCHEMBL5043875 0.89 ALDH1A1 (0.47) MEN1ALDH1A1KMT2ANPSR1MAPT
SCHEMBL5043827 0.89 CDC25A (0.47) MEN1ALDH1A1KMT2ANPSR1MAPT
SCHEMBL5044797 0.89 KLKB1 (0.48) MEN1ALDH1A1KMT2ANPSR1MAPT

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-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP claimed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US claimed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US claimed
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
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 2160/4885ALDH1A1 959/4885KMT2A 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.