SCHEMBL5043784

SCHEMBL5043784

COCCCn1c(-c2csc(-c3ccccc3Cl)n2)cc(C(=O)NCC2CCCCC2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CRHBP P24387 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHRM1 P11229 7/20 0.44
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
SLC6A4 P31645 2/20 0.40
HPGD P15428 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR4 Q13639 2/20 0.39
IDH1 O75874 1/20 0.39

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
SCHEMBL5044134 0.95 CHRM1 (0.45) ALDH1A1MAPTMEN1LMNACRHBP
SCHEMBL5048580 0.87 CHRM1 (0.44) MEN1KMT2ACHRM1HTR2AHTR2C
SCHEMBL5044010 0.87 ALDH1A1 (0.45) ALDH1A1MAPTMEN1LMNACRHBP
SCHEMBL5048566 0.86 KMT2A (0.44) ALDH1A1MAPTMEN1LMNAHTT
SCHEMBL5132199 0.85 MAPT (0.59) ALDH1A1MAPTMEN1LMNACRHBP
SCHEMBL5047024 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACHRM1HTR2A
SCHEMBL5039321 0.83 KLKB1 (0.45) ALDH1A1MAPTMEN1LMNACRHBP
SCHEMBL5044843 0.83 ALDH1A1 (0.45) ALDH1A1MAPTMEN1LMNACRHBP
SCHEMBL5047822 0.81 HTR2A (0.51) HTR2AHTR2CSLC6A4HPGDIDH1
SCHEMBL5043901 0.81 MAPT (0.45) ALDH1A1MAPTMEN1LMNACRHBP

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 959/4885MAPT 3334/4885MEN1 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.