SCHEMBL2236729

SCHEMBL2236729

COc1cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
PTGS2 P35354 1/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
GPR17 Q13304 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
ALPL P05186 1/20 0.46

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
SCHEMBL2236467 0.87 PTGS2 (0.59) KMT2AHTTMAPTALDH1A1LMNA
SCHEMBL8820307 0.85 KMT2A (0.56) KMT2AHTTMAPTALDH1A1LMNA
SCHEMBL2239807 0.84 KMT2A (0.59) KMT2AHTTMAPTALDH1A1LMNA
SCHEMBL6346700 0.80 PTGS2 (0.58) KMT2AHTTMAPTALDH1A1LMNA
SCHEMBL27464615 0.79 KMT2A (0.60) KMT2AHTTMAPTLMNAGAA
SCHEMBL31664166 0.79 HPGD (0.50) KMT2AHTTMAPTALDH1A1LMNA
SCHEMBL190507 0.79 HPGD (0.50) KMT2AHTTMAPTALDH1A1LMNA
SCHEMBL2237499 0.79 CYP19A1 (0.51) ALDH1A1LMNAF2PRSS1PRSS2
SCHEMBL27264924 0.78 KMT2A (0.59) KMT2AHTTMAPTALDH1A1LMNA
SCHEMBL8818922 0.77 GPR17 (0.65) KMT2AHTTMAPTALDH1A1GAA

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-2012142698-A1 ALKYLUREA DERIVATIVES ACTIVE AGAINST CANCER CELLS UNIVERSITE LAVAL (CA) 2012-10-26 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 KMT2A 1452/4885HTT 4006/4885MAPT 4618/4885

“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.