SCHEMBL352573

SCHEMBL352573

O=C(O)c1cc2ncoc2cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
CTNNB1 P35222 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
WNT3A P56704 2/20 0.41
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
PTGS2 P35354 2/20 0.37

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
SCHEMBL28237506 0.87 MEN1 (0.49) ALDH1A1MEN1GAAKMT2AXDH
SCHEMBL8980287 0.81 MEN1 (0.44) ALDH1A1MEN1GAAKMT2ACTNNB1
SCHEMBL32672647 0.81 MEN1 (0.44) ALDH1A1MEN1GAAKMT2AXDH
SCHEMBL31521801 0.80 CA12 (0.44) ALDH1A1MEN1GAAKMT2AXDH
SCHEMBL31430580 0.80 CA12 (0.44) ALDH1A1MEN1GAAKMT2AXDH
SCHEMBL27033280 0.78 DYRK1A (0.43) ALDH1A1MEN1GAAKMT2ACTNNB1
SCHEMBL8980191 0.77 CTNNB1 (0.47) ALDH1A1MEN1GAAKMT2ACTNNB1
SCHEMBL30798616 0.73 CTNNB1 (0.47) ALDH1A1MEN1GAAKMT2ACTNNB1
SCHEMBL7683496 0.72 ESR1 (0.42) ALDH1A1MEN1GAAKMT2ACTNNB1
SCHEMBL25891145 0.71 ALDH1A1 (0.41) ALDH1A1MEN1GAAKMT2ACTNNB1

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
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
EP-2411376-A1 INHIBITORS OF NF-KB Profectus Biosciences, Inc. (US) 2012-02-01 EP disclosed
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US disclosed
WO-2010111460-A1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2010-09-30 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-20120015952-A1 Inhibitors of NF-KB NFKBIA, IKBKB, IKBKG ALDH1A1 2365/4885MEN1 2854/4885GAA 1468/4885

“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.