SCHEMBL5458286

SCHEMBL5458286

CCCC(=NOCc1ccccc1)c1ccc(C)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
PPARG P37231 10/20 0.38
PPARA Q07869 9/20 0.38
SLC6A4 P31645 3/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
S1PR1 P21453 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL5458285 1.00 MRGPRX4 (0.39) MRGPRX4PPARGPPARASLC6A4ALDH1A1
SCHEMBL5447633 0.93 PPARA (0.41) MRGPRX4PPARGPPARASLC6A4SMN1; SMN2
SCHEMBL5447637 0.93 PPARA (0.41) MRGPRX4PPARGPPARASLC6A4SMN1; SMN2
SCHEMBL5460693 0.85 PPARA (0.48) PPARGPPARASLC6A4ALDH1A1MAPT
SCHEMBL5460695 0.85 PPARA (0.48) PPARGPPARASLC6A4ALDH1A1MAPT
SCHEMBL5448523 0.85 MRGPRX4 (0.39) MRGPRX4PPARGPPARASLC6A4MAPT
SCHEMBL5448525 0.85 MRGPRX4 (0.39) MRGPRX4PPARGPPARASLC6A4MAPT
SCHEMBL5457825 0.84 SLC6A4 (0.39) PPARGPPARASLC6A4SMN1; SMN2KDM4E
SCHEMBL5457829 0.84 SLC6A4 (0.39) PPARGPPARASLC6A4SMN1; SMN2KDM4E
SCHEMBL6562382 0.84 PPARG (0.47) PPARGPPARAALDH1A1MAPTSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420679-B2 Aminothiazole derivatives and their use as CRF receptor ligands SANOFI (FR) 2013-04-16 US disclosed
US-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands SANOFI-AVENTIS (FR) 2007-12-06 US disclosed
EP-1200419-B1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI SYNTHELABO (FR) 2004-04-14 EP disclosed
US-6586456-B1 Corticotropin releasing factor (CRF) antagonists such as (4-(2-chloro-4-methoxy-5-methylphenyl)-5-methylthiazol-2-yl)(( (1-(3-fluoro-4-methylphenyl)-2-methoxyethyl))prop-2-ynylamine, prepared by alkylation with propagyl bromide SANOFI-SYNTHELABO (FR) 2003-07-01 US disclosed
EP-1200419-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2002-05-02 EP disclosed
WO-2001005776-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2001-01-25 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-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands CRH, CRHR1, CRHR2 MRGPRX4 88/4885PPARG 1334/4885PPARA 1548/4885

“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.