SCHEMBL14699102

SCHEMBL14699102

C=CCN1CCN(c2ccc(S(=O)(=O)Cl)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
CYP1A1 P04798 11/20 0.41
DRD2 P14416 5/20 0.40
DRD3 P35462 4/20 0.40
HDAC1 Q13547 2/20 0.40

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
SCHEMBL14708663 0.81 CYP1A1 (0.47) RAB9ACYP1A1DRD2DRD3HDAC1
SCHEMBL14698170 0.79 CYP1A1 (0.57) RAB9ACYP1A1DRD2DRD3
SCHEMBL7828106 0.75 CYP1A1 (0.64) RAB9ACYP1A1DRD2DRD3
SCHEMBL8787666 0.75 CYP1A1 (0.64) RAB9ACYP1A1DRD2DRD3
SCHEMBL9678341 0.73 DRD2 (0.62) DRD2DRD3HDAC1
SCHEMBL2234811 0.73 RAB9A (0.40) RAB9ACYP1A1DRD2DRD3
SCHEMBL462082 0.69 CYP3A4 (0.46) HDAC1
SCHEMBL9678330 0.69 CRBN (0.46) DRD3
SCHEMBL2236663 0.68 SCN9A (0.40)
SCHEMBL2303672 0.66 AKR1C3 (0.40)

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-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-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
EP-2744786-A1 SUBSTITUTED 2-IMIDAZOLIDINONES AND 2-IMIDAZOLONES AND THEIR USE IN THE TREATMENT OF CANCER Université Laval (CA) 2014-06-25 EP disclosed
WO-2013023274-A1 SUBSTITUTED 2-IMIDAZOLIDINONES AND 2-IMIDAZOLONES AND THEIR USE IN THE TREATMENT OF CANCER UNIVERSITE LAVAL (CA) 2013-02-21 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 (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 RAB9A 560/4885CYP1A1 908/4885DRD2 3980/4885
US-20140315968-A1 Substituted 2-Imidazolidinones and 2-Imidazolones and Their Use in the Treatment of Cancer BRCA1, PRMT1, ARG1 RAB9A 560/4885CYP1A1 908/4885DRD2 3980/4885

“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.