SCHEMBL19205885

SCHEMBL19205885

COc1ccc2[nH]c(-c3ccccc3O)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.55
GAA P10253 4/20 0.54
MGAM O43451 3/20 0.54
SI P14410 3/20 0.54
MGAM2 Q2M2H8 3/20 0.54
F2 P00734 2/20 0.52
F10 P00742 2/20 0.52
PLG P00747 2/20 0.52
PLAU P00749 2/20 0.52
PLAT P00750 2/20 0.52
PRSS1 P07477 2/20 0.52
KDM4E B2RXH2 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 4/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HSD17B10 Q99714 2/20 0.51
F7 P08709 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL179162 0.90 MGAM (0.61) GUSBGAAMGAMSIMGAM2
SCHEMBL4496832 0.90 NPC1 (0.57) GUSBGAAKDM4ENPC1RAB9A
SCHEMBL4496843 0.84 NPC1 (0.68) GAAF2F10PLGPLAU
SCHEMBL31429762 0.84 GAA (0.66) GUSBGAAMGAMSIMGAM2
SCHEMBL31429621 0.84 F7 (0.60) GUSBGAAMGAMSIMGAM2
SCHEMBL3136726 0.83 GUSB (0.69) GUSBGAAMGAMSIMGAM2
SCHEMBL8564795 0.82 NPC1 (0.50) GUSBGAAKDM4ENPC1RAB9A
SCHEMBL1170729 0.82 ALDH1A1 (0.57) KDM4ENPC1RAB9AHPGDALDH1A1
SCHEMBL14601533 0.82 F7 (0.47) GUSBGAAMGAMSIMGAM2
SCHEMBL8108604 0.81 NPC1 (0.69) GAAKDM4ENPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180004-B1 CANCER THERAPEUTICS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-01-06 EP disclosed
US-10562890-B2 Cancer therapeutics UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-02-18 US disclosed
US-20170233375-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-08-17 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 (2 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 GUSB 3562/4885GAA 3552/4885MGAM 4216/4885
US-10562890-B2 Cancer therapeutics RUNX1, CBFB, MCL1 GUSB 3562/4885GAA 3552/4885MGAM 4216/4885

“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.