SCHEMBL6524376

SCHEMBL6524376

Nc1cc(O)cc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.54
HSP90AB1 P08238 9/20 0.54
MMP2 P08253 2/20 0.47
TSHR P16473 2/20 0.47
CHRM1 P11229 1/20 0.47
COMT P21964 1/20 0.47
ADRA1A P35348 1/20 0.47
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 1/20 0.46
PLAU P00749 1/20 0.46
IDO1 P14902 1/20 0.46
PSMB5 P28074 1/20 0.46
LMNA P02545 2/20 0.45
GMNN O75496 1/20 0.45

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
SCHEMBL11808148 0.80 COMT (0.61) HSP90AA1HSP90AB1MMP2TSHRCHRM1
SCHEMBL7548538 0.80 KDM4E (0.52) HSP90AA1HSP90AB1MMP2TSHRCHRM1
SCHEMBL2471617 0.78 SLC40A1 (0.47) HSP90AA1HSP90AB1MMP2TSHRKDM4E
SCHEMBL1611156 0.77 NR4A2 (0.53) HSP90AA1HSP90AB1MMP2TSHRKDM4E
SCHEMBL7441724 0.77 HSP90AA1 (0.54) HSP90AA1HSP90AB1MMP2TSHRCHRM1
SCHEMBL5544307 0.77 CCR1 (0.55) HSP90AA1HSP90AB1MMP2TSHRCHRM1
SCHEMBL3565423 0.77 ALDH1A1 (0.58) HSP90AA1HSP90AB1MMP2TSHRCHRM1
SCHEMBL3038128 0.77 CASP6 (0.45) HSP90AA1HSP90AB1MMP2TSHRCHRM1
SCHEMBL14242732 0.77 HSP90AA1 (0.54) HSP90AA1HSP90AB1MMP2TSHRCHRM1
SCHEMBL25961779 0.77 PSMD14 (0.62) HSP90AA1HSP90AB1MMP2TSHRCHRM1

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
CN-112625776-A Graphene compound for lubricating oil additive and preparation method and application thereof 中国石油化工股份有限公司 2021-04-09 CN claimed
CN-112625776-B Graphene compound for lubricating oil additive and preparation method and application thereof 中国石油化工股份有限公司 2022-07-19 CN disclosed
CN-112625776-A Graphene compound for lubricating oil additive and preparation method and application thereof 中国石油化工股份有限公司 2021-04-09 CN disclosed
US-10457662-B2 Substituted amides for treating and preventing cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 US disclosed
US-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-10-04 US disclosed
WO-2016187544-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-24 WO disclosed
EP-2285805-B1 ARYL-QUINOLYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-07-23 EP disclosed
EP-2285805-B1 ARYL-QUINOLYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-07-23 EP disclosed
US-8383816-B2 Aryl-quinolyl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-26 US disclosed
US-8383816-B2 Aryl-quinolyl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-26 US disclosed
US-8383816-B2 Aryl-quinolyl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-26 US disclosed
US-20110053946-A1 Aryl-Quinolyl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-03-03 US disclosed
US-20110053946-A1 Aryl-Quinolyl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-03-03 US disclosed
US-20110053946-A1 Aryl-Quinolyl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-03-03 US disclosed
WO-2009130487-A1 ARYL-QUINOLYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-29 WO disclosed
WO-2008067390-A9 METABOLITES OF 5-FLUORO-8-{4-[4-(6-METHOXYQUINOLIN-8-YL)PIPERAZIN-1-YL]PIPERIDIN-1-YL} QUINOLINE AND METHODS OF PREPARATION AND USES THEREOF WYETH CORP (US) 2009-05-22 WO disclosed
WO-2008067390-A2 METABOLITES OF 5-FLUORO-8-{4-[4-(6-METHOXYQUINOLIN-8-YL)PIPERAZIN-1-YL]PIPERIDIN-1-YL} QUINOLINE AND METHODS OF PREPARATION AND USES THEREOF WYETH (US) 2008-06-05 WO disclosed
WO-1997006161-A1 ANTICOCCIDIAL 8-AMINOQUINOLINE DERIVATIVES PFIZER LIMITED (GB) 1997-02-20 WO disclosed
US-3956420-A CPOLYOLEFIN COMPOSITION FOR ELECTRICAL INSULATIONFERROCENE, 8-SUBSTITUTED QUINOLINE DAINICHI-NIPPON CABLES, LTD. (JA) 1976-05-11 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 (3 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-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER NNT, NQO1, NAMPT HSP90AA1 2976/4885HSP90AB1 2595/4885MMP2 2750/4885
US-10457662-B2 Substituted amides for treating and preventing cancer NQO1, NNT, SIRT1 HSP90AA1 2070/4885HSP90AB1 1900/4885MMP2 2820/4885
US-20110053946-A1 Aryl-Quinolyl Compounds and Their Use BRAF, NRAS, ARAF HSP90AA1 1449/4885HSP90AB1 1074/4885MMP2 3792/4885

“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.