SCHEMBL2303986

SCHEMBL2303986

O=C1NCCN1c1ccc(S(=O)(=O)O)c(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP2 O95551 1/20 0.38
TRPA1 O75762 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL2300467 0.88 PTPN11 (0.39) CYP1A2TSHR
SCHEMBL2299338 0.84 HCRTR1 (0.39)
SCHEMBL2302675 0.84 ALOX5 (0.42) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL2301978 0.84 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2ATDP2
SCHEMBL2303927 0.83 EIF2AK2 (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2304873 0.83 EIF2AK2 (0.36) MAPTMEN1KMT2ALMNACYP2C9
SCHEMBL14119429 0.83 POLB (0.41) MEN1KMT2A
SCHEMBL2302478 0.82 HPGD (0.40) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL2305422 0.81 KMT2A (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2305428 0.81 KMT2A (0.41) ALDH1A1MAPTMEN1KMT2ALMNA

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-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
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 ALDH1A1 1937/4885MAPT 4618/4885NPSR1 2711/4885

“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.