SCHEMBL16178221

SCHEMBL16178221

CCCCN1CCN(c2ccc(S(=O)(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2)C1=O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 9/20 0.71
ADRB2 P07550 6/20 0.48
ADRB1 P08588 6/20 0.48
ADRB3 P13945 6/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
S1PR1 P21453 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
GHSR Q92847 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL16178226 0.97 CYP1A1 (0.72) CYP1A1ADRB2ADRB1ADRB3HTT
SCHEMBL16186796 0.94 CYP1A1 (0.64) CYP1A1ADRB2ADRB1ADRB3HTT
SCHEMBL14119673 0.94 CYP1A1 (0.70) CYP1A1ADRB2ADRB1ADRB3HTT
SCHEMBL16186811 0.92 CYP1A1 (0.65) CYP1A1ADRB2ADRB1ADRB3HTT
SCHEMBL14217387 0.89 CYP1A1 (0.63) CYP1A1ADRB2ADRB1ADRB3HTT
SCHEMBL14708702 0.83 CYP1A1 (0.52) CYP1A1ADRB2ADRB1ADRB3HTT
SCHEMBL14697580 0.83 CYP1A1 (1.00) CYP1A1ADRB2ADRB1ADRB3S1PR1
SCHEMBL14119726 0.82 CYP1A1 (0.63) CYP1A1ADRB2ADRB1ADRB3HTT
SCHEMBL14698149 0.80 CYP1A1 (1.00) CYP1A1ADRB2ADRB1ADRB3S1PR1
SCHEMBL14217384 0.78 CYP1A1 (0.56) CYP1A1ADRB2ADRB1ADRB3

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 908/4885ADRB2 1862/4885ADRB1 1968/4885
US-20140315968-A1 Substituted 2-Imidazolidinones and 2-Imidazolones and Their Use in the Treatment of Cancer BRCA1, PRMT1, ARG1 CYP1A1 908/4885ADRB2 1862/4885ADRB1 1968/4885

“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.