SCHEMBL125698

SCHEMBL125698

CCOc1ccc2[nH]c(-c3ccc(OCCOCCOc4ccc(-c5nc6cc(C)ccc6[nH]5)nc4)cn3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 5/20 0.48
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 5/20 0.41
NCF1 P14598 2/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40

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
SCHEMBL15780000 0.94 CBFB (0.53) CBFBNPC1RAB9AKDM4EUSP2
SCHEMBL125204 0.93 CBFB (0.54) CBFBNPC1RAB9AKDM4ELMNA
SCHEMBL19997035 0.88 CBFB (0.50) CBFBNPC1RAB9AKDM4EUSP2
SCHEMBL124329 0.87 CBFB (0.50) CBFBNPC1RAB9AACHERUNX1
SCHEMBL126350 0.87 CBFB (0.66) CBFBACHERUNX1METAP2METAP1
SCHEMBL125244 0.85 CBFB (0.64) CBFBNPC1RAB9AKDM4EALDH1A1
SCHEMBL125468 0.85 CBFB (0.52) CBFBNPC1RAB9AACHEPDE3B
SCHEMBL124328 0.85 CBFB (0.65) CBFBNPC1RAB9AACHERUNX1
SCHEMBL125467 0.85 CBFB (0.65) CBFBNPC1RAB9AACHERUNX1
SCHEMBL124433 0.85 CBFB (0.65) CBFBNPC1RAB9AACHERUNX1

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 3/4885NPC1 1794/4885RAB9A 4300/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885NPC1 1798/4885RAB9A 4308/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885NPC1 1798/4885RAB9A 4308/4885

“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.