SCHEMBL222164

SCHEMBL222164

Nc1ccccc1-c1cn2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.54
NPC1 O15118 14/20 0.54
KDM4E B2RXH2 9/20 0.54
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
MAPT P10636 4/20 0.54
POLB P06746 2/20 0.54
HPGD P15428 2/20 0.54
PKM P14618 6/20 0.54
GFER P55789 2/20 0.51
ALOX12 P18054 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MAPK1 P28482 3/20 0.50
TP53 P04637 2/20 0.50
TLR9 Q9NR96 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL30714904 1.00 RAB9A (0.54) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4627970 0.93 RAB9A (0.51) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18807110 0.82 RAB9A (0.60) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL31731985 0.81 RAB9A (0.67) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL30714867 0.81 RAB9A (0.62) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10978758 0.81 RAB9A (0.62) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18807101 0.80 SUV39H2 (0.46) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4790656 0.79 RAB9A (0.54) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL30558267 0.79 RAB9A (0.61) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10333641 0.79 RAB9A (0.61) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787448-B2 Indolizino [3,2-C] quinoline-based fluorescent probe SEOUL NATIONAL UNIVERSITY R & DB FOUNDATION (KR) 2020-09-29 US disclosed
US-10454043-B2 Heterocyclic compound and organic light-emitting element using same HEESUNG MATERIAL LTD. (KR) 2019-10-22 US disclosed
EP-3165527-B1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO LTD (KR) 2019-06-26 EP disclosed
US-20170324046-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME HEESUNG MATERIAL LTD. (KR) 2017-11-09 US disclosed
US-20170324046-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME HEESUNG MATERIAL LTD. (KR) 2017-11-09 US disclosed
EP-3214085-A2 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME Heesung Material Ltd. (KR) 2017-09-06 EP disclosed
EP-3165527-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME Samsung Display Co., Ltd. (KR) 2017-05-10 EP disclosed
US-20170125696-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-04 US disclosed
US-20170125696-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-04 US disclosed
US-9331290-B2 Metal complexes MERCK PATENT GMBH (DE) 2016-05-03 US disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 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 (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-10454043-B2 Heterocyclic compound and organic light-emitting element using same CRY1, CRY2, PER2 RAB9A 3098/4885NPC1 4160/4885KDM4E 1752/4885
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRT1, SIRT3, SIRT2 RAB9A 1526/4885NPC1 2905/4885KDM4E 540/4885
US-10787448-B2 Indolizino [3,2-C] quinoline-based fluorescent probe DNA2, IRF3, DDB1 RAB9A 3363/4885NPC1 1024/4885KDM4E 4624/4885
US-20170125696-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME VDAC1, VDAC2, MCOLN2 RAB9A 2254/4885NPC1 836/4885KDM4E 2677/4885
US-20170324046-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, PER2 RAB9A 3098/4885NPC1 4160/4885KDM4E 1752/4885

“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.