SCHEMBL5043427

SCHEMBL5043427

COCCn1c(-c2csc(-c3ccc(C)nc3)n2)cc(C(=O)NCC2CCCCC2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.44
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
CNR1 P21554 1/20 0.39
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
KLKB1 P03952 5/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36
IDH1 O75874 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
SCHEMBL5044250 0.89 MAPT (0.52) GSK3BALDH1A1MEN1LMNAMAPT
SCHEMBL5045028 0.86 SREBF2 (0.41) ALDH1A1MEN1LMNAMAPTCRHBP
SCHEMBL5039592 0.86 CDC25A (0.44) ALDH1A1MEN1LMNAKMT2ACPT2
SCHEMBL5043868 0.85 KLKB1 (0.46) ALDH1A1MEN1LMNAMAPTCRHBP
SCHEMBL5132199 0.85 MAPT (0.59) GSK3BALDH1A1MEN1LMNAMAPT
SCHEMBL5044134 0.84 CHRM1 (0.45) ALDH1A1MEN1LMNAMAPTCRHBP
SCHEMBL5043694 0.83 EIF4E (0.41) ALDH1A1MAPTCPT2CPT1ACPT1B
SCHEMBL5044843 0.82 ALDH1A1 (0.45) ALDH1A1MEN1LMNAMAPTCRHBP
SCHEMBL5043921 0.82 KLKB1 (0.52) ALDH1A1MEN1LMNAMAPTCRHBP
SCHEMBL5133778 0.81 ALDH1A1 (0.51) ALDH1A1MEN1LMNAMAPTCRHBP

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 GSK3B 3213/4885ALDH1A1 959/4885MEN1 2160/4885

“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.