SCHEMBL5044843

SCHEMBL5044843

CCc1cc(-c2nc(-c3cc(C(=O)NCC4CCCCC4)c(C)n3CCCOC)cs2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
CRHBP P24387 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 1/20 0.41
SREBF2 Q12772 3/20 0.40
SREBF1 P36956 1/20 0.40
KLKB1 P03952 8/20 0.36
IDH1 O75874 1/20 0.36
KLK1 P06870 2/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
PDE10A Q9Y233 1/20 0.36
HTR4 Q13639 1/20 0.35
GLS O94925 1/20 0.35

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
SCHEMBL5045028 0.96 SREBF2 (0.41) ALDH1A1MEN1LMNAMAPTCRHBP
SCHEMBL5048671 0.93 SREBF2 (0.42) ALDH1A1MEN1LMNAMAPTCRHBP
SCHEMBL5039865 0.90 SREBF2 (0.43) ALDH1A1MAPTSREBF2SREBF1KLKB1
SCHEMBL5132199 0.87 MAPT (0.59) ALDH1A1MEN1LMNAMAPTCRHBP
SCHEMBL5043975 0.86 KLKB1 (0.46) ALDH1A1MEN1LMNAMAPTCRHBP
SCHEMBL5039558 0.85 SREBF2 (0.39) ALDH1A1SREBF2SREBF1KLKB1KLK1
SCHEMBL5133244 0.85 KLKB1 (0.40) SREBF2SREBF1KLKB1KLK1
SCHEMBL5039299 0.85 EIF4E (0.41) ALDH1A1MEN1LMNAKMT2AHPGD
SCHEMBL5043885 0.84 SREBF2 (0.48) ALDH1A1MAPTHPGDSREBF2SREBF1
SCHEMBL5039321 0.84 KLKB1 (0.45) 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 ALDH1A1 959/4885MEN1 2160/4885LMNA 4423/4885

“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.