SCHEMBL5457045

SCHEMBL5457045

COC/C(=N\OC)c1ccc(COC)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
FFAR1 O14842 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.36
PKM P14618 2/20 0.36
GAA P10253 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL5457052 1.00 GSK3B (0.46) GSK3BFFAR1MEN1KMT2AKDM4E
SCHEMBL5455974 0.84 SMN1; SMN2 (0.50) GSK3BMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5455981 0.84 SMN1; SMN2 (0.50) GSK3BMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5463441 0.83 GSK3B (0.44) GSK3BFFAR1MEN1KMT2AKDM4E
SCHEMBL5463436 0.83 GSK3B (0.44) GSK3BFFAR1MEN1KMT2AKDM4E
SCHEMBL5469823 0.82 NPC1 (0.43) FFAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5469818 0.82 NPC1 (0.43) FFAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13606728 0.81 ALDH1A1 (0.50) GSK3BMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL22668296 0.80 FFAR1 (0.64) FFAR1SMN1; SMN2ALDH1A1GAACYP1A2
SCHEMBL22668297 0.79 GSK3B (0.46) GSK3BFFAR1MEN1KMT2AALDH1A1

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 GSK3B 4369/4885FFAR1 414/4885MEN1 2126/4885

“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.