SCHEMBL14217387

SCHEMBL14217387

CCCN1CCN(c2ccc(S(=O)(=O)Nc3cc(CC)c(OC)c(OC)c3)cc2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 9/20 0.63
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRB2 P07550 6/20 0.40
ADRB1 P08588 6/20 0.40
ADRB3 P13945 6/20 0.40
GHSR Q92847 1/20 0.40
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL16186796 0.94 CYP1A1 (0.64) CYP1A1HTTSMN1; SMN2ADRB2ADRB1
SCHEMBL14119673 0.94 CYP1A1 (0.70) CYP1A1HTTSMN1; SMN2ADRB2ADRB1
SCHEMBL16186811 0.94 CYP1A1 (0.65) CYP1A1HTTSMN1; SMN2ADRB2ADRB1
SCHEMBL16178221 0.89 CYP1A1 (0.71) CYP1A1HTTSMN1; SMN2ADRB2ADRB1
SCHEMBL16178226 0.88 CYP1A1 (0.72) CYP1A1HTTSMN1; SMN2ADRB2ADRB1
SCHEMBL14119726 0.84 CYP1A1 (0.63) CYP1A1HTTSMN1; SMN2ADRB2ADRB1
SCHEMBL16186806 0.84 CYP1A1 (0.89) CYP1A1
SCHEMBL14708702 0.82 CYP1A1 (0.52) CYP1A1HTTSMN1; SMN2ADRB2ADRB1
SCHEMBL14217384 0.82 CYP1A1 (0.56) CYP1A1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL14120067 0.80 CYP1A1 (0.56) CYP1A1SMN1; SMN2ALDH1A1

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 4 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-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 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-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS CCNY, RPS4Y1, TPX2 CYP1A1 1777/4885HTT 4006/4885SMN1; SMN2 2479/4885
US-20160184270-A1 SUBSTITUTED 2-IMIDAZOLIDINONES AND 2-IMIDAZOLONES AND THEIR USE IN THE TREATMENT OF CANCER BRCA1, PRMT1, ARG1 CYP1A1 908/4885HTT 4745/4885SMN1; SMN2 2145/4885

“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.