SCHEMBL1665183

SCHEMBL1665183

O=C(NCCO)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.59
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HPGD P15428 2/20 0.57
HSP90AA1 P07900 1/20 0.57
ALDH1A1 P00352 1/20 0.57
NFKB1 P19838 1/20 0.57
CASP3 P42574 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
MMP13 P45452 1/20 0.56
CA12 O43570 1/20 0.54

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
SCHEMBL620074 0.89 POLB (0.66) HPGDALDH1A1NFKB1MEN1KMT2A
SCHEMBL970780 0.89 NPC1 (0.62) OGG1NPC1RAB9AHPGDHSP90AA1
SCHEMBL4912134 0.87 POLB (0.66) OGG1NPC1RAB9AHPGDHSP90AA1
SCHEMBL9490115 0.84 HSP90AA1 (0.71) OGG1NPC1RAB9AHPGDHSP90AA1
SCHEMBL16898615 0.83 OGG1 (0.63) OGG1NPC1RAB9AHPGDHSP90AA1
SCHEMBL24185290 0.82 OGG1 (0.57) OGG1NPC1RAB9AHPGDHSP90AA1
SCHEMBL1927462 0.82 HDAC3 (0.69) OGG1NPC1RAB9AHPGDHSP90AA1
SCHEMBL3502876 0.82 NFKB1 (0.68) OGG1NPC1RAB9AHPGDHSP90AA1
SCHEMBL8142775 0.82 POLB (0.58) NPC1RAB9AHPGDALDH1A1CASP3
SCHEMBL23471096 0.82 POLB (0.58) HPGDALDH1A1NFKB1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
WO-2022253311-A1 HPK1 INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-12-08 WO disclosed
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SK MATERIALS JNC CO., LTD. (KR) 2022-05-24 US disclosed
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SK MATERIALS JNC CO., LTD. (KR) 2022-05-24 US disclosed
CN-107531641-B Material for transporting electrons, organic electroluminescent element, and display device or lighting device 爱思开新材料捷恩智株式会社 2022-03-15 CN disclosed
WO-2021013083-A1 TRICYCLIC COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-28 WO disclosed
WO-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 WO disclosed
EP-3725314-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2020-10-21 EP disclosed
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME JNC CORPORATION (JP) 2018-07-26 US disclosed
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME JNC CORPORATION (JP) 2018-07-26 US disclosed
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME JNC CORPORATION (JP) 2018-07-26 US disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20150284370-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2015-10-08 US disclosed
WO-2014062733-A2 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-04-24 WO disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO disclosed
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors ASTRAZENECA AB (SE) 2009-04-16 US disclosed
CN-101115752-A 4- (4- (imidazol-4-yl) pyrimidin-2-ylamino) benzamides as cdk inhibitors ASTRAZENECA AB (SE) 2008-01-30 CN 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 (7 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-20150284370-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL OGG1 1161/4885NPC1 1195/4885RAB9A 4407/4885
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 OGG1 2301/4885NPC1 4535/4885RAB9A 3785/4885
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 OGG1 3990/4885NPC1 3936/4885RAB9A 1897/4885
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SLC7A5, EML4, ARNT OGG1 3229/4885NPC1 999/4885RAB9A 1603/4885
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SLC7A5, EML4, ARNT OGG1 3229/4885NPC1 999/4885RAB9A 1603/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 OGG1 4696/4885NPC1 4533/4885RAB9A 893/4885
US-11642348-B2 Substituted benzene compounds CYP1B1, TP53, VHL OGG1 1161/4885NPC1 1195/4885RAB9A 4407/4885

“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.