SCHEMBL5453693

SCHEMBL5453693

CCCCC(=NOCc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.49
PPARG P37231 3/20 0.49
SLC6A4 P31645 1/20 0.48
HTR7 P34969 1/20 0.44
S1PR1 P21453 1/20 0.41
CCR5 P51681 1/20 0.39
CETP P11597 3/20 0.39
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
LMNA P02545 1/20 0.38
PTBP1 P26599 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ESR1 P03372 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL5453689 1.00 PPARA (0.49) PPARAPPARGSLC6A4HTR7S1PR1
SCHEMBL5460693 0.92 PPARA (0.48) PPARAPPARGSLC6A4S1PR1DRD4
SCHEMBL5460695 0.92 PPARA (0.48) PPARAPPARGSLC6A4S1PR1DRD4
SCHEMBL5456993 0.86 PPARA (0.42) PPARAPPARGSLC6A4S1PR1CETP
SCHEMBL5456995 0.86 PPARA (0.42) PPARAPPARGSLC6A4S1PR1CETP
SCHEMBL5447637 0.86 PPARA (0.41) PPARAPPARGSLC6A4CETPLMNA
SCHEMBL5447633 0.86 PPARA (0.41) PPARAPPARGSLC6A4CETPLMNA
SCHEMBL7843985 0.82 DRD4 (0.47) PPARAPPARGSLC6A4HTR7DRD4
SCHEMBL5460633 0.81 SMN1; SMN2 (0.46) PPARAPPARGDRD4LMNASMN1; SMN2
SCHEMBL5460640 0.81 SMN1; SMN2 (0.46) PPARAPPARGDRD4LMNASMN1; 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 PPARA 1548/4885PPARG 1334/4885SLC6A4 175/4885

“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.