SCHEMBL3823764

SCHEMBL3823764

O=C(O)Cc1csc(N2CCOCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
APEX1 P27695 1/20 0.54
MPI P34949 1/20 0.54
RECQL P46063 1/20 0.54
MCL1 Q07820 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
AR P10275 2/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 2/20 0.47
GABRA5 P31644 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
SCHEMBL17115622 0.87 LMNA (0.55) LMNAMAPTALDH1A1GAAKDM4E
SCHEMBL28030674 0.87 MAPT (0.53) LMNAMAPTALDH1A1GAAKDM4E
SCHEMBL15709871 0.83 KDM4E (0.57) LMNAMAPTALDH1A1GAAKDM4E
SCHEMBL7187027 0.81 MAPT (0.56) LMNAMAPTALDH1A1GAAKDM4E
SCHEMBL8183054 0.81 LMNA (0.53) LMNAMAPTALDH1A1KDM4EPOLB
SCHEMBL1436135 0.78 MAPT (0.59) LMNAMAPTARRAB9ANPC1
SCHEMBL15349288 0.78 MAPT (0.56) LMNAMAPTARRAB9ANPC1
SCHEMBL18674655 0.78 LMNA (0.58) LMNAMAPTALDH1A1GAAAR
SCHEMBL1493576 0.78 MAPT (0.56) LMNAMAPTARRAB9ANPC1
SCHEMBL420357 0.77 AR (0.54) LMNAALDH1A1L3MBTL1ARRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 EP disclosed
EP-2922850-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-07-18 EP disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
US-9029531-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-9029531-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
WO-2014079150-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
WO-2014079136-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES AS GLUTAMINASE INHIBITORS FOR TREATING CANCERS THEREOF AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 US disclosed
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 US disclosed
EP-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP disclosed
EP-2091917-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-08-26 EP disclosed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 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 (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-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL LMNA 3690/4885MAPT 3239/4885ALDH1A1 196/4885
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL LMNA 3478/4885MAPT 3597/4885ALDH1A1 444/4885

“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.