SCHEMBL13410554

SCHEMBL13410554

O=S(=O)(O)c1cccc2c1ccc1nc3ccccc3nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.50
MAX P61244 1/20 0.50
TTR P02766 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 3/20 0.44
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RCE1 Q9Y256 1/20 0.42
MEN1 O00255 2/20 0.39
NSD2 O96028 1/20 0.39
POLB P06746 1/20 0.39
IDE P14735 1/20 0.39
DUSP3 P51452 1/20 0.39
CCR6 P51684 1/20 0.39
BLM P54132 1/20 0.39
COMT P21964 1/20 0.39
ATIC P31939 1/20 0.39

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
Water SCHEMBL11321734 0.89 TTR (0.46) MYCMAXTTRALDH1A1CYP1A2
SCHEMBL6666484 0.87 MYC (0.57) MYCMAXTTRALDH1A1CYP1A2
SCHEMBL9670672 0.84 TTR (0.47) MYCMAXTTRALDH1A1CYP1A2
SCHEMBL28338713 0.83 ALDH1A1 (0.55) MYCMAXTTRALDH1A1CYP1A2
SCHEMBL28338912 0.82 ALDH1A1 (0.53) MYCMAXTTRALDH1A1CYP1A2
SCHEMBL28457455 0.82 ALDH1A1 (0.53) MYCMAXTTRALDH1A1CYP1A2
SCHEMBL31391239 0.77 MYC (0.63) MYCMAXALDH1A1KMT2ARAB9A
SCHEMBL30354640 0.76 TTR (0.56) TTRALDH1A1CYP1A2MAPTATIC
SCHEMBL660151 0.76 TTR (0.56) TTRALDH1A1CYP1A2MAPTATIC
SCHEMBL31742344 0.76 TTR (0.56) TTRALDH1A1CYP1A2MAPTATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100098630-A1 Phenazine and Quinoxaline Substituted Amino Acids and Polypeptides AMBRX, INC. (US) 2010-04-22 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 (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-20100098630-A1 Phenazine and Quinoxaline Substituted Amino Acids and Polypeptides PTMS, NPEPPS, DNPEP MYC 346/4885MAX 88/4885TTR 1346/4885

“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.