SCHEMBL5043769

SCHEMBL5043769

CCc1cc(-c2nc(-c3cc(C(=O)NCC(C)C)c(C)n3Cc3ccco3)cs2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.44
SREBF2 Q12772 2/20 0.43
SREBF1 P36956 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
RUNX1 Q01196 1/20 0.42
MCL1 Q07820 1/20 0.42
CBFB Q13951 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KLKB1 P03952 7/20 0.42
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5040257 0.90 SREBF2 (0.42) IDH1SREBF2SREBF1MEN1KMT2A
SCHEMBL5049025 0.90 SREBF2 (0.42) IDH1SREBF2SREBF1MEN1KMT2A
SCHEMBL5039557 0.89 SREBF2 (0.42) SREBF2SREBF1MEN1KMT2AALDH1A1
SCHEMBL5048930 0.89 IDH1 (0.44) IDH1SREBF2SREBF1MAPTKLKB1
SCHEMBL5040270 0.88 SREBF2 (0.48) IDH1SREBF2SREBF1MEN1KMT2A
SCHEMBL5043307 0.88 SREBF2 (0.48) IDH1SREBF2SREBF1ALDH1A1MAPT
SCHEMBL5048726 0.85 SREBF2 (0.46) IDH1SREBF2SREBF1ALDH1A1MAPT
SCHEMBL5043820 0.85 KLKB1 (0.48) IDH1MEN1KMT2AALDH1A1MAPT
SCHEMBL5044818 0.85 KLKB1 (0.48) IDH1SREBF2SREBF1KLKB1CDK5
SCHEMBL5043998 0.83 ALDH1A1 (0.46) IDH1MEN1KMT2AALDH1A1MAPT

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 IDH1 3182/4885SREBF2 2076/4885SREBF1 1307/4885

“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.