SCHEMBL179157

SCHEMBL179157

COc1cccc(-c2nc3cc(OC)ccc3[nH]2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.63
RAB9A P51151 4/20 0.63
TP53 P04637 3/20 0.63
HPGD P15428 3/20 0.63
PKM P14618 3/20 0.63
POLB P06746 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HTT P42858 1/20 0.63
ALDH1A1 P00352 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
KDM4E B2RXH2 3/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
HSD17B10 Q99714 1/20 0.62
AURKA O14965 1/20 0.60
NR1I2 O75469 1/20 0.59
CYP1A2 P05177 1/20 0.59

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
SCHEMBL11903487 0.90 CYP1A2 (0.54) NPC1RAB9ATP53HPGDPKM
SCHEMBL2324292 0.89 NPC1 (0.78) NPC1RAB9ATP53HPGDPKM
SCHEMBL31154259 0.89 NPC1 (0.68) NPC1RAB9ATP53HPGDPKM
SCHEMBL23758270 0.89 AURKA (0.55) NPC1RAB9ATP53HPGDPKM
SCHEMBL830598 0.88 NPC1 (0.70) NPC1RAB9ATP53HPGDPKM
SCHEMBL29528892 0.88 NPC1 (0.70) NPC1RAB9ATP53HPGDPKM
SCHEMBL14302708 0.86 COMT (0.56) NPC1RAB9ATP53HPGDPKM
SCHEMBL1170729 0.85 ALDH1A1 (0.57) NPC1RAB9ATP53HPGDPKM
SCHEMBL15779786 0.85 CBFB (0.53) NPC1RAB9ATP53HPGDPKM
SCHEMBL7759421 0.83 HDAC6 (0.55) NPC1RAB9ATP53HPGDPKM

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 9 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-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 (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 NPC1 1794/4885RAB9A 4300/4885TP53 70/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB NPC1 1798/4885RAB9A 4308/4885TP53 64/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB NPC1 1798/4885RAB9A 4308/4885TP53 64/4885

“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.