SCHEMBL179161

SCHEMBL179161

COc1ccc2[nH]c(-c3cccc(F)n3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
RAB9A P51151 5/20 0.52
RUNX1 Q01196 1/20 0.52
AMY1A P0DUB6 4/20 0.48
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 3/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 3/20 0.45
HTT P42858 1/20 0.45
FGFR1 P11362 1/20 0.43

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
SCHEMBL4813791 0.90 NPC1 (0.58) NPC1RAB9ARUNX1AMY1AALDH1A1
SCHEMBL179159 0.85 NPC1 (0.53) NPC1RAB9ARUNX1AMY1AALDH1A1
SCHEMBL179132 0.85 NPC1 (0.53) NPC1RAB9ARUNX1AMY1AALDH1A1
SCHEMBL1170729 0.81 ALDH1A1 (0.57) NPC1RAB9ARUNX1AMY1AALDH1A1
SCHEMBL19230411 0.81 NPC1 (0.49) NPC1RAB9ARUNX1AMY1AALDH1A1
SCHEMBL4805851 0.81 NPC1 (0.69) NPC1RAB9ARUNX1ALDH1A1SMN1; SMN2
SCHEMBL18764094 0.80 CBFB (0.44) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL179095 0.80 NPC1 (0.80) NPC1RAB9ARUNX1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL20659617 0.78 NPC1 (0.78) NPC1RAB9ARUNX1ALDH1A1SMN1; SMN2
SCHEMBL179157 0.77 NPC1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670509-B1 INHIBITORS OF INV(16) LEUKEMIA UNIV VIRGINIA PATENT FOUNDATION (US) 2023-04-19 EP disclosed
EP-3180004-B1 CANCER THERAPEUTICS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-01-06 EP disclosed
EP-3180004-B1 CANCER THERAPEUTICS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-01-06 EP disclosed
EP-3670509-A1 INHIBITORS OF INV(16) LEUKEMIA The University of Virginia Patent Foundation (US) 2020-06-24 EP disclosed
US-10562890-B2 Cancer therapeutics UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-02-18 US disclosed
US-10562890-B2 Cancer therapeutics UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-02-18 US disclosed
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-20170233375-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-08-17 US disclosed
EP-3180004-A1 CANCER THERAPEUTICS University Of Virginia Patent Foundation (US) 2017-06-21 EP disclosed
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2016-04-07 US disclosed
WO-2016025744-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-02-18 WO disclosed
WO-2016025744-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-02-18 WO 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-A9 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-01-06 WO 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 (5 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 NPC1 3614/4885RAB9A 3902/4885RUNX1 1/4885
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB NPC1 1794/4885RAB9A 4300/4885RUNX1 10/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB NPC1 1798/4885RAB9A 4308/4885RUNX1 10/4885
US-10562890-B2 Cancer therapeutics RUNX1, CBFB, MCL1 NPC1 3614/4885RAB9A 3902/4885RUNX1 1/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB NPC1 1798/4885RAB9A 4308/4885RUNX1 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.