SCHEMBL5458228

SCHEMBL5458228

COCC(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.44
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
KCNE1 P15382 2/20 0.42
KCNQ1 P51787 2/20 0.42
ALDH1A1 P00352 2/20 0.42
AGTR1 P30556 2/20 0.42
KCNQ5 Q9NR82 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1280272 0.84 HPGD (0.57) ALDH1A1AGTR1KDM4EHPGDMAPT
SCHEMBL31114440 0.84 CES2 (0.53) HPGDRAB9ALMNAMAPK1HTT
SCHEMBL10780708 0.84 RAB9A (0.46) SLC6A4KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL20703151 0.84 ALDH1A1 (0.49) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL5449312 0.81 HDAC1 (0.53) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL18538090 0.81 MAPT (0.54) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL6559766 0.80 KCNQ3 (0.47) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL30467135 0.80 KCNQ3 (0.47) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL16563526 0.80 SLC6A4 (0.44) SLC6A4ALDH1A1RAB9ALMNAMAPK1
SCHEMBL3502522 0.79 KCNQ3 (0.46) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5

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 9 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
EP-0188194-B1 AMINOACRYLIC ACID DERIVATIVES BAYER AG (DE) 1990-07-04 EP disclosed
US-4695646-A OXYQUINOLINECARBOXYLIC ACID INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
EP-0188194-A2 Aminoacrylic acid derivatives BAYER AG (DE) 1986-07-23 EP 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 SLC6A4 175/4885KCNQ3 3595/4885KCNQ2 3382/4885

“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.