SCHEMBL5600742

SCHEMBL5600742

CCOC(=O)NC1C=CC(=O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 7/20 1.00
NFKB2 Q00653 7/20 1.00
RELA Q04206 7/20 1.00
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ATM Q13315 1/20 0.35
CYP2C9 P11712 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
SCHEMBL14586681 0.79 NFKB1 (1.00) NFKB1NFKB2RELAGAA
SCHEMBL5600252 0.79 NFKB1 (1.00) NFKB1NFKB2RELAGAA
SCHEMBL7338158 0.78 NFKB1 (0.64) NFKB1NFKB2RELAALDH1A1GAA
SCHEMBL26983435 0.77 NFKB1 (0.64) NFKB1NFKB2RELA
SCHEMBL14586691 0.75 NFKB1 (0.60) NFKB1NFKB2RELAALDH1A1CYP1A2
SCHEMBL12649640 0.75 NFKB1 (0.60) NFKB1NFKB2RELAALDH1A1CYP1A2
SCHEMBL18415033 0.73 NFKB1 (0.57) NFKB1NFKB2RELAALDH1A1CYP1A2
SCHEMBL5601260 0.71 NFKB1 (0.55) NFKB1NFKB2RELAALDH1A1SMN1; SMN2
SCHEMBL6827884 0.70 NFKB1 (0.54) NFKB1NFKB2RELAALDH1A1CYP1A2
SCHEMBL18414940 0.70 NFKB1 (0.54) NFKB1NFKB2RELA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537066-B1 CYCLOPENTENONE DERIVATIVES AS POTENT ACTIVATORS OF HSF-1 BIOGEM S C AR L (IT) 2017-01-25 EP disclosed
EP-1537066-B1 CYCLOPENTENONE DERIVATIVES AS POTENT ACTIVATORS OF HSF-1 BIOGEM S C AR L (IT) 2017-01-25 EP disclosed
US-7183440-B2 Pharmaceutically useful compounds CHARTERHOUSE THERAPEUTICS LTD (GB) 2007-02-27 US disclosed
US-7183440-B2 Pharmaceutically useful compounds CHARTERHOUSE THERAPEUTICS LTD (GB) 2007-02-27 US disclosed
US-7183440-B2 Pharmaceutically useful compounds CHARTERHOUSE THERAPEUTICS LTD (GB) 2007-02-27 US disclosed
US-20060040869-A1 Pharmaceutically useful compounds BIOGEM S.C.A.R.L. (IT) 2006-02-23 US disclosed
EP-1537066-A2 IMPROVEMENTS IN PHARMACEUTICALLY USEFUL COMPOUNDS Charterhouse Therapeutics Ltd. (GB) 2005-06-08 EP disclosed
WO-2004013077-A2 CYCLOPENTANONE AND CYCLOPENTANONE DERIVATIVES AS POTENT ACTIVATORS OF HSF-1 CHARTERHOUSE THERAPEUTICS LTD (GB) 2004-02-12 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-20060040869-A1 Pharmaceutically useful compounds MC2R, CRKL, NPY2R NFKB1 2975/4885NFKB2 2252/4885RELA 3671/4885

“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.