SCHEMBL5046850

SCHEMBL5046850

CCCCn1c(-c2csc(COc3ccc(OC)cc3)n2)cc(C(=O)NCC2CCCCC2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.44
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 1/20 0.41
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38

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
SCHEMBL5039249 0.94 MAPT (0.53) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5048929 0.92 MAPT (0.47) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5045004 0.89 POLB (0.43) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5043686 0.88 HPGD (0.42) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5133778 0.88 ALDH1A1 (0.51) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5044848 0.86 CDC25A (0.45) MAPTALDH1A1MEN1LMNAHTT
SCHEMBL5044942 0.86 HPGD (0.48) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5048702 0.85 ALDH1A1 (0.47) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5047587 0.84 ALDH1A1 (0.60) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5045076 0.83 MAPT (0.40) MAPTALDH1A1MEN1LMNACRHBP

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 MAPT 3334/4885ALDH1A1 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.