SCHEMBL8820649

SCHEMBL8820649

Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 3/20 0.47

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
SCHEMBL8820528 0.85 KMT2A (0.54) ALPLALPICA2CA1CA5A
SCHEMBL13723550 0.82 DHODH (0.54) ALPLALPICA2CA9CA12
SCHEMBL3824499 0.82 LMNA (0.59) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL29586241 0.82 LMNA (0.59) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL4131247 0.81 ALDH1A1 (0.58) ALPLMEN1MAPTKMT2AGAA
SCHEMBL9986896 0.81 HTT (0.47) ALPLALPICA2CA9CA12
SCHEMBL2044143 0.81 ALPL (0.44) ALPLALPICA2CA9CA12
SCHEMBL929164 0.81 ALPL (0.53) ALPLALPICA2CA9CA12
SCHEMBL11450465 0.80 ALDH1A1 (0.51) ALPLALPIMEN1MAPTKMT2A
SCHEMBL1200410 0.79 ALDH1A1 (0.69) ALPLALPICA2CA9CA12

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 5 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-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-1997048677-A1 NON-IONIC PHOTOACID GENERATORS WITH IMPROVED QUANTUM EFFICIENCY PPG INDUSTRIES, INC. (US) 1997-12-24 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 ALPL 4676/4885ALPI 4466/4885CA2 4014/4885

“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.