SCHEMBL240642

SCHEMBL240642

COc1cc(Br)cnc1NC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ERN1 O75460 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
SHMT2 P34897 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
PRKDC P78527 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
GRM5 P41594 1/20 0.35
EGFR P00533 3/20 0.35

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
SCHEMBL195153 0.80 SMN1; SMN2 (0.40) RAB9ANPC1MAPTALDH1A1ERN1
SCHEMBL22042410 0.79 MAPT (0.43) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL28526963 0.77 NPC1 (0.40) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL16268805 0.77 MAPT (0.42) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL18538103 0.77 RAB9A (0.42) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL9903454 0.77 KMT2A (0.42) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL23963815 0.75 AURKA (0.32) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL27785867 0.74 KMT2A (0.39) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL17161019 0.74 ERN1 (0.46) RAB9ANPC1MAPTALDH1A1ERN1
SCHEMBL22227193 0.73 GRM5 (0.35) MEN1KMT2AGRM5GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017031325-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2017-02-23 WO disclosed
WO-2017031325-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2017-02-23 WO disclosed
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 US disclosed
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 US disclosed
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 EP disclosed
EP-2559693-A1 Polycyclic compound Eisai R&D Management Co., Ltd. (JP) 2013-02-20 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
CN-102333777-A Nitrogen-containing fused heterocyclic compounds and their use as beta-amyloid production inhibitors EISAI R&D MAN CO LTD 2012-01-25 CN disclosed
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 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 (5 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 RAB9A 2861/4885NPC1 22/4885MAPT 31/4885
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC RAB9A 4397/4885NPC1 326/4885MAPT 16/4885
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 RAB9A 1997/4885NPC1 85/4885MAPT 8/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 RAB9A 2244/4885NPC1 163/4885MAPT 20/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 RAB9A 2061/4885NPC1 75/4885MAPT 31/4885

“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.