SCHEMBL5458217

SCHEMBL5458217

CCc1ccc(C(=O)COC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
NPC1 O15118 5/20 0.56
ALDH1A1 P00352 4/20 0.55
MAPT P10636 5/20 0.54
HPGD P15428 2/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 1/20 0.51
PLK1 P53350 1/20 0.50
LMNA P02545 1/20 0.48
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL5460100 0.84 NPC1 (0.45) RAB9ANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL20135229 0.82 MAPT (0.62) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL9544632 0.79 CXCR1 (0.47) ALDH1A1HPGDLMNANFKB1SMN1; SMN2
SCHEMBL2064455 0.79 NPC1 (0.58) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL7290567 0.79 CA1 (0.54) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL863102 0.79 ESR2 (0.59) RAB9ANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL1687863 0.79 ALDH1A1 (0.64) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL4866611 0.79 ALDH1A1 (0.64) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL30089549 0.79 ALDH1A1 (0.64) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL10539937 0.78 ALDH1A1 (0.54) RAB9ANPC1ALDH1A1MAPTHPGD

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 RAB9A 3096/4885NPC1 2994/4885ALDH1A1 4153/4885

“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.