SCHEMBL179162

SCHEMBL179162

COc1ccc(-c2nc3cc(OC)ccc3[nH]2)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.61
GAA P10253 2/20 0.61
SI P14410 2/20 0.61
MGAM2 Q2M2H8 2/20 0.61
AMY1A P0DUB6 6/20 0.56
F2 P00734 1/20 0.52
F10 P00742 1/20 0.52
PLG P00747 1/20 0.52
PLAU P00749 1/20 0.52
PLAT P00750 1/20 0.52
PRSS1 P07477 1/20 0.52
GUSB P08236 1/20 0.49
NPC1 O15118 4/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL19205885 0.90 GUSB (0.55) MGAMGAASIMGAM2AMY1A
SCHEMBL31429762 0.88 GAA (0.66) MGAMGAASIMGAM2AMY1A
SCHEMBL125905 0.88 MGAM (0.53) MGAMGAASIMGAM2AMY1A
SCHEMBL10746410 0.88 PDE2A (0.52) MGAMGAASIMGAM2AMY1A
SCHEMBL1170729 0.85 ALDH1A1 (0.57) AMY1ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7278247 0.85 MGAM (0.55) MGAMGAASIMGAM2AMY1A
SCHEMBL4496832 0.84 NPC1 (0.57) GAAAMY1AGUSBNPC1ALDH1A1
SCHEMBL10739533 0.84 MGAM (0.57) MGAMGAASIMGAM2AMY1A
SCHEMBL10920852 0.81 GAA (0.54) MGAMGAASIMGAM2AMY1A
SCHEMBL14601539 0.80 CHEK2 (0.46) MGAMGAASIMGAM2AMY1A

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 MGAM 2730/4885GAA 4268/4885SI 2384/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB MGAM 2694/4885GAA 4210/4885SI 2361/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB MGAM 2694/4885GAA 4210/4885SI 2361/4885

“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.