SCHEMBL5453166

SCHEMBL5453166

Cc1cc(C(=O)C(C)Br)c(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
SLC6A4 P31645 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHRND Q07001 1/20 0.37
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
GPR27 Q9NS67 1/20 0.36
CD44 P16070 1/20 0.34
CA3 P07451 2/20 0.33
CA4 P22748 2/20 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
SCHEMBL8549332 0.88 CA12 (0.35) CA12CA1CA2CA9CA3
SCHEMBL5453679 0.83 ALDH1A1 (0.39) LMNAMEN1KMT2A
SCHEMBL8393015 0.78 HPGD (0.45) MEN1PKMKMT2A
SCHEMBL3141276 0.76 ALDH1A1 (0.55) LMNACA1CA2
SCHEMBL29712852 0.76 ALDH1A1 (0.55) LMNACA1CA2
SCHEMBL1922201 0.76 SMN1; SMN2 (0.55) MEN1KMT2AL3MBTL1
SCHEMBL92141 0.75 CA12 (0.50) LMNACA12CA1CA2CA9
SCHEMBL10630611 0.75 CD44 (0.39) LMNACA12CA1CA2CA9
SCHEMBL8617912 0.75 GPR27 (0.42) LMNAGPR27CD44GRIN2DGRIN3B
SCHEMBL8545974 0.75 ALDH1A1 (0.44) LMNAPKMKMT2A

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 LMNA 4796/4885CHRNA1 491/4885CHRNG 775/4885

“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.