SCHEMBL179099

SCHEMBL179099

COc1ccc2[nH]c(-c3ncccc3C(F)(F)F)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.52
CBFB Q13951 2/20 0.48
RUNX1 Q01196 6/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TEK Q02763 1/20 0.44
PDE2A O00408 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AURKA O14965 2/20 0.42
ITK Q08881 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL179096 0.88 CBFB (0.63) TRPV1CBFBRUNX1
SCHEMBL179108 0.83 CBFB (0.60) CBFBRUNX1NPC1RAB9APDE2A
SCHEMBL12944399 0.81 TRPV1 (0.53) TRPV1CBFBRUNX1ALDH1A1ITK
SCHEMBL17525962 0.79 RUNX1 (0.62) TRPV1CBFBRUNX1NPC1RAB9A
SCHEMBL4184092 0.76 TRPV1 (0.57) TRPV1CBFBRUNX1NPC1RAB9A
SCHEMBL179101 0.76 CBFB (0.63) TRPV1CBFBRUNX1
SCHEMBL1170729 0.76 ALDH1A1 (0.57) RUNX1NPC1RAB9AKDM4EALDH1A1
SCHEMBL179102 0.75 CBFB (0.82) TRPV1CBFBRUNX1
SCHEMBL179095 0.75 NPC1 (0.80) CBFBRUNX1NPC1RAB9AKDM4E
SCHEMBL17525963 0.74 RUNX1 (0.84) TRPV1CBFBRUNX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670509-A1 INHIBITORS OF INV(16) LEUKEMIA The University of Virginia Patent Foundation (US) 2020-06-24 EP disclosed
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
WO-2010132684-A2 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-11-18 WO 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 TRPV1 4546/4885CBFB 3/4885RUNX1 10/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB TRPV1 4526/4885CBFB 3/4885RUNX1 10/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB TRPV1 4526/4885CBFB 3/4885RUNX1 10/4885

“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.