SCHEMBL5039299

SCHEMBL5039299

CCc1cc(-c2nc(-c3cc(C(=O)NCC4CCCCC4)c(C)n3CC3CCCO3)cs2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 2/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
CDC25C P30307 1/20 0.41
DUSP3 P51452 1/20 0.41
SREBF2 Q12772 2/20 0.40
SREBF1 P36956 1/20 0.40
HPGD P15428 5/20 0.38
RXFP1 Q9HBX9 4/20 0.37
ALDH1A1 P00352 5/20 0.37
ATM Q13315 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
RECQL P46063 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
SCHEMBL5039865 0.92 SREBF2 (0.43) EIF4ESREBF2SREBF1ALDH1A1ATM
SCHEMBL5133254 0.89 CDC25A (0.42) EIF4ECDC25ACDC25BCDC25CDUSP3
SCHEMBL5039472 0.87 CDC25A (0.46) EIF4ECDC25ACDC25BCDC25CDUSP3
SCHEMBL5039592 0.87 CDC25A (0.44) EIF4ECDC25ACDC25BCDC25CDUSP3
SCHEMBL5048671 0.87 SREBF2 (0.42) SREBF2SREBF1ALDH1A1ATMKMT2A
SCHEMBL5045028 0.86 SREBF2 (0.41) SREBF2SREBF1HPGDALDH1A1KMT2A
SCHEMBL5133244 0.86 KLKB1 (0.40) EIF4ESREBF2SREBF1NPC1RAB9A
SCHEMBL5046853 0.85 CDC25A (0.59) EIF4ECDC25ACDC25BCDC25CDUSP3
SCHEMBL5044843 0.85 ALDH1A1 (0.45) SREBF2SREBF1HPGDALDH1A1KMT2A
SCHEMBL5045879 0.85 KLKB1 (0.44) EIF4ECDC25ACDC25BCDC25CDUSP3

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-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 EIF4E 2174/4885CDC25A 1091/4885CDC25B 1444/4885

“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.