SCHEMBL125153

SCHEMBL125153

OCc1cc2nc(-c3ccccn3)[nH]c2cc1CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 11/20 1.00
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
PKM P14618 4/20 0.68
LMNA P02545 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
KDM4E B2RXH2 2/20 0.68
MAPT P10636 2/20 0.68
KMT2A Q03164 1/20 0.68
METAP2 P50579 8/20 0.65
METAP1 P53582 6/20 0.65
HPGD P15428 2/20 0.60
MTOR P42345 1/20 0.60
TP53 P04637 1/20 0.59
GAA P10253 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
F2 P00734 1/20 0.56
F10 P00742 1/20 0.56
F7 P08709 1/20 0.56

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
SCHEMBL125154 0.91 CBFB (0.93) CBFBNPC1RAB9APKMLMNA
SCHEMBL13866537 0.84 NPC1 (0.81) CBFBNPC1RAB9APKMLMNA
SCHEMBL32660767 0.83 CBFB (1.00) CBFBNPC1RAB9APKMLMNA
SCHEMBL5032550 0.83 CBFB (1.00) CBFBNPC1RAB9APKMLMNA
SCHEMBL125118 0.83 CBFB (0.80) CBFBNPC1RAB9APKMLMNA
SCHEMBL32660737 0.83 CBFB (0.80) CBFBNPC1RAB9APKMLMNA
SCHEMBL13223456 0.81 NPC1 (1.00) CBFBNPC1RAB9APKMLMNA
SCHEMBL125187 0.79 CBFB (1.00) CBFBNPC1RAB9APKMLMNA
SCHEMBL30692551 0.79 CBFB (1.00) CBFBNPC1RAB9APKMLMNA
SCHEMBL124228 0.79 CBFB (1.00) CBFBNPC1RAB9APKMLMNA

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.