SCHEMBL16178253

SCHEMBL16178253

CCCCN1CCN(c2ccc(S(=O)(=O)Oc3cc(OC)cc(OC)c3)cc2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 11/20 1.00
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.42
S1PR1 P21453 1/20 0.42
KCNH2 Q12809 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
CRHR1 P34998 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
SCHEMBL16178130 0.97 CYP1A1 (1.00) CYP1A1DRD2DRD3GAAPKM
SCHEMBL16186804 0.95 CYP1A1 (0.90) CYP1A1DRD2DRD3GAAPKM
SCHEMBL14119781 0.93 CYP1A1 (0.88) CYP1A1DRD2DRD3GAAPKM
SCHEMBL16178207 0.93 CYP1A1 (0.86) CYP1A1DRD2DRD3GAAPKM
SCHEMBL16178474 0.92 CYP1A1 (0.86) CYP1A1DRD2DRD3GAAS1PR1
SCHEMBL16186812 0.92 CYP1A1 (0.90) CYP1A1DRD2DRD3GAAPKM
SCHEMBL14697580 0.90 CYP1A1 (1.00) CYP1A1DRD2DRD3GAAPKM
SCHEMBL16178206 0.90 CYP1A1 (0.86) CYP1A1DRD2DRD3PKMS1PR1
SCHEMBL16178146 0.90 CYP1A1 (0.82) CYP1A1DRD2DRD3GAAPKM
SCHEMBL14217385 0.89 CYP1A1 (0.79) CYP1A1DRD2DRD3GAAPKM

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 908/4885DRD2 3980/4885DRD3 3834/4885
US-20140315968-A1 Substituted 2-Imidazolidinones and 2-Imidazolones and Their Use in the Treatment of Cancer BRCA1, PRMT1, ARG1 CYP1A1 908/4885DRD2 3980/4885DRD3 3834/4885

“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.