SCHEMBL125164

SCHEMBL125164

COCCOc1ccc(-c2nc3cc(CO)ccc3[nH]2)nc1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 9/20 0.84
RUNX1 Q01196 3/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
FLT3 P36888 1/20 0.36
SLC2A1 P11166 1/20 0.36
SYK P43405 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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 0.89 CBFB (0.68) CBFBRUNX1NPC1RAB9ASLC2A1
SCHEMBL125696 0.89 CBFB (0.68) CBFBRUNX1NPC1RAB9ASLC2A1
SCHEMBL125287 0.89 CBFB (0.68) CBFBRUNX1NPC1RAB9ASLC2A1
SCHEMBL125288 0.89 CBFB (0.69) CBFBRUNX1NPC1RAB9ACYP4F2
SCHEMBL126324 0.89 CBFB (0.82) CBFBRUNX1NPC1RAB9ASLC2A1
SCHEMBL125467 0.87 CBFB (0.65) CBFBRUNX1NPC1RAB9ACYP4F2
SCHEMBL124328 0.87 CBFB (0.65) CBFBRUNX1NPC1RAB9ACYP4F2
SCHEMBL124433 0.87 CBFB (0.65) CBFBRUNX1NPC1RAB9ACYP4F2
SCHEMBL125132 0.87 CBFB (0.64) CBFBRUNX1NPC1RAB9ACYP4F2
SCHEMBL179105 0.86 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.