SCHEMBL16178474

SCHEMBL16178474

CCCCN1CCN(c2ccc(S(=O)(=O)Oc3ccc(OC)cc3)cc2)C1=O

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 11/20 0.86
GAA P10253 1/20 0.52
NOX4 Q9NPH5 2/20 0.45
HDAC1 Q13547 1/20 0.43
S1PR1 P21453 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR1 P34998 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL12353770 0.93 CYP1A1 (0.75) CYP1A1GAANOX4HDAC1DRD2
SCHEMBL16178253 0.92 CYP1A1 (1.00) CYP1A1GAANOX4S1PR1CRHR1
SCHEMBL16178207 0.89 CYP1A1 (0.86) CYP1A1GAADRD2DRD3
SCHEMBL16178130 0.89 CYP1A1 (1.00) CYP1A1GAANOX4S1PR1DRD2
SCHEMBL16178229 0.89 CYP1A1 (0.82) CYP1A1GAAS1PR1POLBDRD2
SCHEMBL16186804 0.88 CYP1A1 (0.90) CYP1A1GAAHDAC1S1PR1DRD2
SCHEMBL16178146 0.86 CYP1A1 (0.82) CYP1A1GAAHDAC1S1PR1DRD2
SCHEMBL16178206 0.86 CYP1A1 (0.86) CYP1A1S1PR1DRD2DRD3
SCHEMBL14697580 0.86 CYP1A1 (1.00) CYP1A1GAAS1PR1DRD2DRD3
SCHEMBL14708665 0.86 CYP1A1 (0.82) CYP1A1GAANOX4S1PR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579306-B2 Substituted 2-imidazolidinones and 2-imidazolones and their use in the treatment of cancer UNIVERSITE LAVAL (CA) 2017-02-28 US disclosed
US-9579306-B2 Substituted 2-imidazolidinones and 2-imidazolones and their use in the treatment of cancer UNIVERSITE LAVAL (CA) 2017-02-28 US disclosed
US-9579306-B2 Substituted 2-imidazolidinones and 2-imidazolones and their use in the treatment of cancer UNIVERSITE LAVAL (CA) 2017-02-28 US disclosed
US-20160184270-A1 SUBSTITUTED 2-IMIDAZOLIDINONES AND 2-IMIDAZOLONES AND THEIR USE IN THE TREATMENT OF CANCER UNIVERSITé LAVAL (CA) 2016-06-30 US disclosed
US-20160184270-A1 SUBSTITUTED 2-IMIDAZOLIDINONES AND 2-IMIDAZOLONES AND THEIR USE IN THE TREATMENT OF CANCER UNIVERSITé LAVAL (CA) 2016-06-30 US disclosed
US-20160184270-A1 SUBSTITUTED 2-IMIDAZOLIDINONES AND 2-IMIDAZOLONES AND THEIR USE IN THE TREATMENT OF CANCER UNIVERSITé LAVAL (CA) 2016-06-30 US disclosed
US-9278937-B2 Substituted 2-imidazolidinones and 2-imidazolones and their use in the treatment of cancer UNIVERSITE LAVAL (CA) 2016-03-08 US disclosed
US-9278937-B2 Substituted 2-imidazolidinones and 2-imidazolones and their use in the treatment of cancer UNIVERSITE LAVAL (CA) 2016-03-08 US disclosed
US-9278937-B2 Substituted 2-imidazolidinones and 2-imidazolones and their use in the treatment of cancer UNIVERSITE LAVAL (CA) 2016-03-08 US disclosed
US-20140315968-A1 Substituted 2-Imidazolidinones and 2-Imidazolones and Their Use in the Treatment of Cancer UNIVERSITE LAVAL (CA) 2014-10-23 US disclosed
US-20140315968-A1 Substituted 2-Imidazolidinones and 2-Imidazolones and Their Use in the Treatment of Cancer UNIVERSITE LAVAL (CA) 2014-10-23 US disclosed
US-20140315968-A1 Substituted 2-Imidazolidinones and 2-Imidazolones and Their Use in the Treatment of Cancer UNIVERSITE LAVAL (CA) 2014-10-23 US 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 (2 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-20160184270-A1 SUBSTITUTED 2-IMIDAZOLIDINONES AND 2-IMIDAZOLONES AND THEIR USE IN THE TREATMENT OF CANCER BRCA1, PRMT1, ARG1 CYP1A1 908/4885GAA 4447/4885NOX4 1033/4885
US-20140315968-A1 Substituted 2-Imidazolidinones and 2-Imidazolones and Their Use in the Treatment of Cancer BRCA1, PRMT1, ARG1 CYP1A1 908/4885GAA 4447/4885NOX4 1033/4885

“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.