SCHEMBL15748892

SCHEMBL15748892

COc1ccc(Nc2nnc(CS(=O)(=O)Cc3nnc(Nc4ccc(OC)cc4)s3)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 8/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
TDP1 Q9NUW8 1/20 0.51
GSK3B P49841 1/20 0.51
PKM P14618 2/20 0.50
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.47
GGT1 P19440 1/20 0.47

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
SCHEMBL12595539 0.81 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20340816 0.80 GSK3B (0.53) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23220338 0.76 MEN1 (0.64) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12866605 0.74 RAB9A (0.53) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11585261 0.70 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28568228 0.70 GUSB (0.65) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Glysobuzole SCHEMBL1815623 0.66 ALDH1A1 (1.00) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9405260 0.65 ALDH1A1 (0.67) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL899315 0.65 SMN1; SMN2 (0.64) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19129573 0.65 SMN1; SMN2 (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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
EP-2922832-B1 GLUTAMINASE INHIBITORS AND METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-10-09 EP disclosed
US-10414740-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-10011574-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-03 US disclosed
US-10011574-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-03 US disclosed
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2015-10-22 US disclosed
WO-2014081925-A1 GLUTAMASE INHIBITORS AND METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 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-10011574-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL MAPT 3550/4885NPC1 3268/4885RAB9A 2293/4885
US-10414740-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL MAPT 3550/4885NPC1 3268/4885RAB9A 2293/4885
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL MAPT 3206/4885NPC1 3177/4885RAB9A 2289/4885

“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.