SCHEMBL124238

SCHEMBL124238

Cc1cccc(-c2nc3cc(CO)ccc3[nH]2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 10/20 0.52
HSD17B10 Q99714 1/20 0.41
METAP2 P50579 2/20 0.41
METAP1 P53582 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
BLM P54132 1/20 0.40
UBE2N P61088 1/20 0.40
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
MPL P40238 1/20 0.38
NPC1 O15118 2/20 0.37
PKM P14618 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL125170 0.84 CBFB (0.52) CBFBHSD17B10METAP2METAP1KMT2A
SCHEMBL125633 0.83 CBFB (0.50) CBFBHSD17B10METAP2METAP1KMT2A
SCHEMBL125118 0.80 CBFB (0.80) CBFBMETAP2METAP1KMT2AGAA
SCHEMBL32660737 0.80 CBFB (0.80) CBFBMETAP2METAP1KMT2AGAA
SCHEMBL124236 0.78 NPBWR1 (0.49) CBFBHSD17B10NPC1PKMRAB9A
SCHEMBL125378 0.77 CBFB (0.58) CBFBHSD17B10METAP2METAP1KMT2A
SCHEMBL124413 0.77 CBFB (0.58) CBFBHSD17B10METAP2METAP1KMT2A
SCHEMBL11911272 0.77 NPC1 (0.51) CBFBHSD17B10METAP2METAP1KMT2A
SCHEMBL179159 0.77 NPC1 (0.53) CBFBHSD17B10METAP2METAP1KMT2A
SCHEMBL23201240 0.76 F2 (0.54)

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 7 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-20170233375-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-08-17 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 (4 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-20170233375-A1 CANCER THERAPEUTICS RUNX1, CBFB, MCL1 CBFB 2/4885HSD17B10 4249/4885METAP2 4282/4885
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885HSD17B10 1400/4885METAP2 3332/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885HSD17B10 1448/4885METAP2 3287/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885HSD17B10 1448/4885METAP2 3287/4885

“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.