SCHEMBL710433

SCHEMBL710433

COc1ccc(-c2cnc3ccccc3n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.71
MAPT P10636 6/20 0.71
KDM4E B2RXH2 5/20 0.71
RAB9A P51151 7/20 0.68
ALDH1A1 P00352 6/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
HPGD P15428 3/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
BCHE P06276 1/20 0.62
NPSR1 Q6W5P4 3/20 0.61
HTT P42858 2/20 0.61
RXFP1 Q9HBX9 1/20 0.61
KMT2A Q03164 2/20 0.61
MAPK1 P28482 1/20 0.59
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
PARP1 P09874 1/20 0.57

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
SCHEMBL28196453 0.86 NPC1 (0.59) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL4954320 0.85 NPC1 (0.81) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL18774822 0.85 NPC1 (0.54) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL28165865 0.84 MAPT (0.61) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL10225874 0.82 SMN1; SMN2 (0.68) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL29386544 0.82 SMN1; SMN2 (0.68) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL13170666 0.81 NPC1 (0.56) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL28860564 0.81 MAPK1 (0.54) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL5219136 0.80 NPC1 (0.50) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL9453978 0.80 NPC1 (0.68) NPC1MAPTKDM4ERAB9AALDH1A1

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
EP-3931184-A1 METHOD FOR PRODUCING QUINOXALINES Technische Universität Wien (AT) 2022-01-05 EP claimed
US-5360688-A Composite black and white substrate for color proofing films HOECHST CELANESE CORPORATION (US) 1994-11-01 US claimed
CN-117050324-A Quinoxaline bridged terpyridine iron coordination polymer electrochromic material 南京林业大学 2023-11-14 CN disclosed
CN-113774411-B Method for electrochemically synthesizing aryl-substituted quinoxaline (ketone) derivative 浙江工业大学 2022-12-27 CN disclosed
EP-3931184-A1 METHOD FOR PRODUCING QUINOXALINES Technische Universität Wien (AT) 2022-01-05 EP disclosed
CN-111116496-B Synthetic method of quinoxaline heterocyclic derivative 扬州大学 2021-12-31 CN disclosed
CN-108530423-B Water-soluble aggregation-induced emission quinoxaline compound and preparation method and application thereof 华南理工大学 2021-07-20 CN disclosed
CN-111116496-A Synthetic method of quinoxaline heterocyclic derivative 扬州大学 2020-05-08 CN disclosed
CN-108530423-A A kind of water solubility aggregation-induced emission quinoxaline compounds and the preparation method and application thereof 华南理工大学 2018-09-14 CN disclosed
CN-105294776-B A kind of preparation method of the symmetrical dimer of nitrogen heterocyclic ring aromatic compound 兰州大学 2018-06-15 CN disclosed
CN-105439965-B The synthetic method of quinoxaline heterocycle and its derivative 江苏恒安化工有限公司 2018-05-22 CN disclosed
CN-106414414-A Method for manufacturing triketone compound 庵原化学工业株式会社 2017-02-15 CN disclosed
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 US disclosed
US-5294515-A Multicolor lithographic proofing image HOECHST CELANESE CORPORATION (US) 1994-03-15 US disclosed
CN-1038525-A The colour filter system of LCD HOECHST CELANESE CORP (US) 1990-01-03 CN disclosed
US-4737445-A 2,3-DIHYDRO-1H-CYCLOPENTA(B)QUINOLINE HOECHST AKTIENGESELLSCHAFT (DE) 1988-04-12 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB NPC1 19/4885MAPT 3896/4885KDM4E 4415/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NPC1 48/4885MAPT 3909/4885KDM4E 4647/4885

“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.