SCHEMBL5453679

SCHEMBL5453679

COc1cc(Cl)c(C(=O)C(C)Br)cc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 4/20 0.39
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.37
STAT3 P40763 2/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 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
SCHEMBL9999181 0.87 HTT (0.41) ALDH1A1LMNASMN1; SMN2KDM4ENPSR1
SCHEMBL8545974 0.87 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2KDM4ENPSR1
SCHEMBL5460805 0.85 TAS1R3 (0.38) ALDH1A1MAPTTSHRHPGDGAA
SCHEMBL5460148 0.85 KDM4E (0.41) ALDH1A1KDM4ENPSR1HPGDGAA
SCHEMBL5453166 0.83 LMNA (0.40) LMNAMEN1KMT2A
SCHEMBL27460228 0.81 GLA (0.41) ALDH1A1LMNASMN1; SMN2KDM4ENPSR1
SCHEMBL2107114 0.78 HTT (0.47) ALDH1A1LMNASMN1; SMN2KDM4ENPSR1
SCHEMBL25845799 0.78 LCK (0.46) ALDH1A1LMNASMN1; SMN2KDM4ENPSR1
SCHEMBL23486043 0.77 ALDH1A1 (0.33) ALDH1A1LMNASMN1; SMN2KDM4ENPSR1
SCHEMBL29936639 0.77 SMN1; SMN2 (0.35) ALDH1A1LMNASMN1; SMN2KDM4ENPSR1

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 ALDH1A1 4153/4885LMNA 4796/4885SMN1; SMN2 4326/4885

“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.