SCHEMBL5044355

SCHEMBL5044355

CCCCNC(=O)c1cc(-c2csc(-c3cccc(OC)c3)n2)n(CC2CCCCC2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.48
HTR2A P28223 4/20 0.47
HTR2C P28335 4/20 0.47
SLC6A4 P31645 4/20 0.47
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SREBF2 Q12772 1/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
GAS6 Q14393 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
SCHEMBL5040235 0.93 HTR2A (0.42) KLKB1HTR2AHTR2CSLC6A4MAPT
SCHEMBL5043875 0.92 ALDH1A1 (0.47) KLKB1HTR2AHTR2CSLC6A4MAPT
SCHEMBL5048633 0.91 HTR2A (0.49) KLKB1HTR2AHTR2CSLC6A4MAPT
SCHEMBL5048559 0.90 ALDH1A1 (0.47) KLKB1HTR2AHTR2CSLC6A4MAPT
SCHEMBL5044423 0.89 MAPT (0.44) HTR2AHTR2CSLC6A4MAPTTP53
SCHEMBL3928022 0.88 HTR2A (0.56) HTR2AHTR2CSLC6A4MAPTALDH1A1
SCHEMBL5048562 0.87 ALDH1A1 (0.51) KLKB1HTR2AHTR2CSLC6A4MAPT
SCHEMBL5046013 0.87 HTR2A (0.45) KLKB1HTR2AHTR2CSLC6A4MAPT
SCHEMBL6881410 0.87 EIF4E (0.49) KLKB1MAPTTP53ALDH1A1LMNA
SCHEMBL5049131 0.87 HTR2A (0.44) KLKB1HTR2AHTR2CSLC6A4FLT3

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 10 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 claimed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US claimed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP claimed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US claimed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO claimed
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 KLKB1 3949/4885HTR2A 602/4885HTR2C 274/4885

“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.