SCHEMBL2236331

SCHEMBL2236331

CN1CCN(c2ccc(S(=O)(=O)Oc3cc(Cl)c(Cl)cc3Cl)cc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 11/20 0.48
PTGS2 P35354 2/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CTSG P08311 3/20 0.36
CMA1 P23946 3/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL14217366 0.92 CYP1A1 (0.46) CYP1A1PTGS2CTSGCMA1
SCHEMBL12354037 0.85 CYP1A1 (0.65) CYP1A1GRIN1GRIN2B
SCHEMBL2234814 0.83 CYP1A1 (0.53) CYP1A1CTSGCMA1
SCHEMBL14217365 0.82 CYP1A1 (0.47) CYP1A1CTSGCMA1
SCHEMBL2301327 0.80 CYP1A1 (0.39) CYP1A1PTGS2CTSGCMA1
SCHEMBL2238358 0.80 CYP1A1 (0.55) CYP1A1CTSGCMA1
SCHEMBL2237271 0.80 CYP1A1 (0.45) CYP1A1
SCHEMBL2236664 0.79 CYP1A1 (0.44) CYP1A1
SCHEMBL12353784 0.79 CYP1A1 (0.71) CYP1A1PTGS2
SCHEMBL14217375 0.78 CYP1A1 (0.62) CYP1A1GRIN1GRIN2B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
EP-2536693-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS Université Laval (CA) 2012-12-26 EP disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 WO disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 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 (1 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 1777/4885PTGS2 4019/4885GRIN1 3676/4885

“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.