SCHEMBL16178381

SCHEMBL16178381

COc1cccc(OS(=O)(=O)c2ccc(N3CCN(CC(C)C)C3=O)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 11/20 0.73
PKM P14618 1/20 0.50
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
KCNH2 Q12809 2/20 0.48
HDAC1 Q13547 1/20 0.47
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 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
SCHEMBL16178162 0.93 CYP1A1 (0.81) CYP1A1PKMDRD2DRD3KCNH2
SCHEMBL16186801 0.92 CYP1A1 (0.63) CYP1A1PKMDRD2DRD3KCNH2
SCHEMBL16186802 0.90 CYP1A1 (0.71) CYP1A1PKMDRD2DRD3KCNH2
SCHEMBL16178322 0.89 CYP1A1 (0.83) CYP1A1PKMDRD2DRD3KCNH2
SCHEMBL16178314 0.89 CYP1A1 (0.83) CYP1A1DRD2DRD3KCNH2HDAC1
SCHEMBL16178392 0.89 CYP1A1 (0.72) CYP1A1PKMDRD2DRD3KCNH2
SCHEMBL16186814 0.87 CYP1A1 (0.72) CYP1A1PKMDRD2DRD3KCNH2
SCHEMBL16178472 0.87 CYP1A1 (0.81) CYP1A1PKMHDAC1GAA
SCHEMBL12353939 0.86 CYP1A1 (0.76) CYP1A1PKMDRD2DRD3KCNH2
SCHEMBL16178207 0.84 CYP1A1 (0.86) CYP1A1PKMDRD2DRD3KCNH2

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 908/4885PKM 1528/4885DRD2 3980/4885
US-20140315968-A1 Substituted 2-Imidazolidinones and 2-Imidazolones and Their Use in the Treatment of Cancer BRCA1, PRMT1, ARG1 CYP1A1 908/4885PKM 1528/4885DRD2 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.