SCHEMBL352343

SCHEMBL352343

O=C(O)c1cc2nc[nH]c2cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
HDAC6 Q9UBN7 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
PRKCI P41743 1/20 0.38
FGFR1 P11362 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
SCHEMBL687133 0.87 KDM4E (0.48) ALDH1A1KDM4EMAPTTDP1APEX1
SCHEMBL13948934 0.81 KDM4E (0.61) ALDH1A1KDM4EMAPTTDP1APEX1
SCHEMBL1871362 0.81 RAB9A (0.46) ALDH1A1KDM4EMAPTTDP1APEX1
SCHEMBL30798836 0.81 MAPT (0.54) ALDH1A1KDM4EMAPTTDP1APEX1
SCHEMBL4916674 0.81 MAPT (0.50) ALDH1A1KDM4EMAPTTDP1APEX1
SCHEMBL25727791 0.81 HDAC6 (0.44) ALDH1A1KDM4EMAPTTDP1APEX1
SCHEMBL2264663 0.78 MAPT (0.56) ALDH1A1KDM4EMAPTTDP1APEX1
SCHEMBL7020295 0.78 KDM4E (0.41) ALDH1A1KDM4EMAPTTDP1APEX1
SCHEMBL30848445 0.78 MCL1 (0.53) XDH
SCHEMBL7220977 0.77 RAB9A (0.46) ALDH1A1KDM4EMAPTTDP1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP disclosed
US-8629164-B2 Inhibitors of NF-κB PROFECTUS BIOSCIENCES, INC. (US) 2014-01-14 US disclosed
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 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-20120015952-A1 Inhibitors of NF-KB NFKBIA, IKBKB, IKBKG ALDH1A1 2365/4885KDM4E 1244/4885MAPT 2761/4885

“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.