SCHEMBL2807348

SCHEMBL2807348

Brc1cccc(-c2nc(-c3ccccc3)no2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.79
NPC1 O15118 10/20 0.79
NR1H4 Q96RI1 2/20 0.69
GRM5 P41594 1/20 0.68
SMN1; SMN2 Q16637 11/20 0.65
TP53 P04637 7/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
HSD17B10 Q99714 2/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP1A2 P05177 1/20 0.65
NFKB1 P19838 4/20 0.62
NFKB2 Q00653 4/20 0.62
RELA Q04206 4/20 0.62
TDP1 Q9NUW8 1/20 0.62
MAPT P10636 5/20 0.60
MAPK1 P28482 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TSHR P16473 1/20 0.59

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
SCHEMBL17336726 0.93 NR1H4 (0.69) RAB9ANPC1NR1H4GRM5SMN1; SMN2
SCHEMBL13415309 0.89 NR1H4 (0.80) RAB9ANPC1NR1H4SMN1; SMN2TP53
SCHEMBL12895776 0.83 NR1H4 (0.83) RAB9ANPC1NR1H4SMN1; SMN2TP53
SCHEMBL1473020 0.82 NR1H4 (1.00) RAB9ANPC1NR1H4SMN1; SMN2TP53
SCHEMBL1423294 0.82 CHRNB2 (0.73) RAB9ANPC1GRM5SMN1; SMN2TP53
SCHEMBL2810636 0.81 NR1H4 (1.00) RAB9ANPC1NR1H4SMN1; SMN2TP53
SCHEMBL4197929 0.81 GRM5 (1.00) RAB9ANPC1GRM5SMN1; SMN2TP53
SCHEMBL17570197 0.81 NR1H4 (0.80) RAB9ANPC1NR1H4SMN1; SMN2TP53
SCHEMBL30414780 0.81 RAB9A (0.79) RAB9ANPC1NR1H4GRM5SMN1; SMN2
SCHEMBL16636075 0.81 NR1H4 (0.67) RAB9ANPC1NR1H4SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530377-A 1,2,4- oxadiazole analog derivative and preparation method thereof 安徽师范大学 2018-09-14 CN disclosed
US-8716489-B2 Oxadiazole derivative, light-emitting element material, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-06 US disclosed
US-8716489-B2 Oxadiazole derivative, light-emitting element material, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-06 US disclosed
US-8716489-B2 Oxadiazole derivative, light-emitting element material, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-06 US disclosed
US-20120323015-A1 Oxadiazole Derivative, Light-Emitting Element Material, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-12-20 US disclosed
US-20120323015-A1 Oxadiazole Derivative, Light-Emitting Element Material, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-12-20 US disclosed
US-20120323015-A1 Oxadiazole Derivative, Light-Emitting Element Material, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-12-20 US disclosed
US-8258310-B2 Oxadiazole derivative, light-emitting element material, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-09-04 US disclosed
US-8258310-B2 Oxadiazole derivative, light-emitting element material, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-09-04 US disclosed
US-8258310-B2 Oxadiazole derivative, light-emitting element material, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-09-04 US disclosed
US-20100240902-A1 Oxadiazole Derivative, Light-Emitting Element Material, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-09-23 US disclosed
US-20100240902-A1 Oxadiazole Derivative, Light-Emitting Element Material, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-09-23 US disclosed
US-20100240902-A1 Oxadiazole Derivative, Light-Emitting Element Material, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-09-23 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-20120323015-A1 Oxadiazole Derivative, Light-Emitting Element Material, Light-Emitting Element, Light-Emitting Device, and Electronic Device OXA1L, GRIN1, GRIA1 RAB9A 2319/4885NPC1 4614/4885NR1H4 1748/4885
US-20100240902-A1 Oxadiazole Derivative, Light-Emitting Element Material, Light-Emitting Element, Light-Emitting Device, and Electronic Device OXA1L, GRIN1, GRIA1 RAB9A 2319/4885NPC1 4614/4885NR1H4 1748/4885

“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.