SCHEMBL124413

SCHEMBL124413

Cc1ccc(-c2nc3cc(CO)ccc3[nH]2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 10/20 0.58
METAP2 P50579 3/20 0.42
METAP1 P53582 3/20 0.42
NPC1 O15118 2/20 0.41
PKM P14618 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 1/20 0.40
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
DHODH Q02127 1/20 0.37
MAP2K4 P45985 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 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
SCHEMBL125132 0.85 CBFB (0.64) CBFBMETAP2METAP1NPC1PKM
SCHEMBL26158811 0.84 METAP2 (0.52) CBFBMETAP2METAP1NPC1PKM
SCHEMBL126324 0.84 CBFB (0.82) CBFBNPC1PKMRAB9AHSD17B10
SCHEMBL124433 0.83 CBFB (0.65) CBFBMETAP2METAP1NPC1PKM
SCHEMBL125467 0.83 CBFB (0.65) CBFBMETAP2METAP1NPC1PKM
SCHEMBL124328 0.83 CBFB (0.65) CBFBMETAP2METAP1NPC1PKM
SCHEMBL125378 0.82 CBFB (0.58) CBFBMETAP2METAP1NPC1PKM
SCHEMBL125164 0.80 CBFB (0.84) CBFBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL32660737 0.78 CBFB (0.80) CBFBMETAP2METAP1NPC1PKM
SCHEMBL125118 0.78 CBFB (0.80) CBFBMETAP2METAP1NPC1PKM

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 3/4885METAP2 3332/4885METAP1 2810/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885METAP2 3287/4885METAP1 2794/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885METAP2 3287/4885METAP1 2794/4885

“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.