SCHEMBL125288

SCHEMBL125288

COc1ccc2[nH]c(-c3ccc(OCCCOc4ccc(-c5nc6cc(CO)ccc6[nH]5)nc4)cn3)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 8/20 0.69
RUNX1 Q01196 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SLC2A1 P11166 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
PDPK1 O15530 1/20 0.37
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL125930 0.94 CBFB (0.68) CBFBRUNX1NPC1RAB9ASLC2A1
SCHEMBL125696 0.94 CBFB (0.68) CBFBRUNX1NPC1RAB9ASLC2A1
SCHEMBL125287 0.94 CBFB (0.68) CBFBRUNX1NPC1RAB9ASLC2A1
SCHEMBL126324 0.91 CBFB (0.82) CBFBRUNX1NPC1RAB9ASLC2A1
SCHEMBL179148 0.91 CBFB (0.57) CBFBRUNX1NPC1RAB9ASLC2A1
SCHEMBL125132 0.89 CBFB (0.64) CBFBRUNX1NPC1RAB9ACYP4F2
SCHEMBL125164 0.89 CBFB (0.84) CBFBRUNX1NPC1RAB9ASLC2A1
SCHEMBL179145 0.84 CBFB (0.56) CBFBRUNX1NPC1RAB9ASLC2A1
SCHEMBL179150 0.84 CBFB (0.56) CBFBRUNX1NPC1RAB9ASLC2A1
SCHEMBL179105 0.84 CBFB (0.65) CBFBRUNX1NPC1RAB9ASLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926290-B2 Inhibitors of INV(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-03-27 US disclosed
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2016-04-07 US disclosed
US-9221764-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-12-29 US disclosed
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-08-28 US disclosed
US-8748618-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-06-10 US disclosed
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-03-08 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 (3 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-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885RUNX1 10/4885NPC1 1794/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885RUNX1 10/4885NPC1 1798/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885RUNX1 10/4885NPC1 1798/4885

“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.