SCHEMBL5048671

SCHEMBL5048671

CCCCn1c(-c2csc(-c3ccnc(CC)c3)n2)cc(C(=O)NCC2CCCCC2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 8/20 0.42
SREBF1 P36956 1/20 0.42
PDE10A Q9Y233 1/20 0.38
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38
KLKB1 P03952 4/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KLK1 P06870 1/20 0.36
GLS O94925 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 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
SCHEMBL5044843 0.93 ALDH1A1 (0.45) SREBF2SREBF1PDE10AKLKB1ALDH1A1
SCHEMBL5045028 0.92 SREBF2 (0.41) SREBF2SREBF1PDE10AKLKB1ALDH1A1
SCHEMBL5039865 0.92 SREBF2 (0.43) SREBF2SREBF1PDE10AKLKB1ALDH1A1
SCHEMBL5045669 0.88 HTR2A (0.43) SREBF2SREBF1PDE10AKLKB1ALDH1A1
SCHEMBL5039558 0.87 SREBF2 (0.39) SREBF2SREBF1PDE10AKLKB1ALDH1A1
SCHEMBL5039299 0.87 EIF4E (0.41) SREBF2SREBF1ALDH1A1ATMMEN1
SCHEMBL5133244 0.87 KLKB1 (0.40) SREBF2SREBF1KLKB1CNR1KLK1
SCHEMBL5048726 0.86 SREBF2 (0.46) SREBF2SREBF1PDE10AKLKB1ALDH1A1
SCHEMBL5043975 0.86 KLKB1 (0.46) SREBF2SREBF1KLKB1ALDH1A1MAPT
SCHEMBL5133778 0.85 ALDH1A1 (0.51) KLKB1CNR1CNR2ALDH1A1MAPT

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 SREBF2 2076/4885SREBF1 1307/4885PDE10A 1150/4885

“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.