SCHEMBL4540728

SCHEMBL4540728

COC(=O)c1ccc2nc(C)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
ALOX15 P16050 1/20 0.60
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.51
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 1/20 0.50
LCK P06239 1/20 0.50
KDM4E B2RXH2 6/20 0.49
HPGD P15428 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PTPN11 Q06124 1/20 0.49
MITF O75030 1/20 0.48
LMNA P02545 2/20 0.47

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
SCHEMBL31435439 0.88 KDM4E (0.51) HTTALOX15KMT2AGAAMEN1
SCHEMBL9945611 0.88 KDM4E (0.51) HTTALOX15KMT2AGAAMEN1
SCHEMBL26372749 0.86 NPC1 (0.64) HTTNPC1RAB9AKMT2AMEN1
SCHEMBL8006874 0.84 NPC1 (0.55) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL17203103 0.83 HTT (0.60) HTTALOX15NPC1RAB9AKMT2A
SCHEMBL30718816 0.83 HTT (0.60) HTTALOX15NPC1RAB9AKMT2A
SCHEMBL31429017 0.83 MEN1 (0.51) HTTALOX15NPC1RAB9AKMT2A
SCHEMBL9944374 0.83 NPC1 (0.60) HTTALOX15NPC1RAB9AKMT2A
SCHEMBL23535667 0.82 HTT (0.59) HTTALOX15NPC1RAB9AGAA
SCHEMBL16289439 0.82 HTT (0.59) HTTALOX15NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754583-A 2- ([2, 2' -biquinolyl ] -3-ether) -1-ethanol and derivative and synthetic method thereof 湖南工程学院 2021-12-07 CN claimed
CN-109776406-B Method for cross coupling of ether compound and quinoline derivative 湘潭大学 2021-05-04 CN claimed
WO-2025041160-A1 BIFUNCTIONAL CONJUGATE MOLECULES FOR CANCER TREATMENT AND PROCESS OF MAKING THE SAME BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE (BITS), PILANI (IN) 2025-02-27 WO disclosed
US-20240254110-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECH LTD (GB) 2024-08-01 US disclosed
CN-118359604-A Protein arginine methyltransferase inhibitors 华润医药研究院(深圳)有限公司 2024-07-19 CN disclosed
US-11787786-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-10-17 US disclosed
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
WO-2023111005-A1 CARBOXAMIDE SUBSTITUTED HETEROAROMATIC COMPOUNDS FOR TREATING CANCER WMT AG (DE) 2023-06-22 WO disclosed
US-20220220097-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-07-14 US disclosed
CN-113754583-A 2- ([2, 2' -biquinolyl ] -3-ether) -1-ethanol and derivative and synthetic method thereof 湖南工程学院 2021-12-07 CN disclosed
US-20210371416-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2021-12-02 US disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP disclosed
US-8846291-B2 Resist composition, method of forming resist pattern, and new compound TOKYO OHKA KOGYO CO. LTD. (JP) 2014-09-30 US disclosed
WO-2013144737-A2 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2013-10-03 WO disclosed
US-20120148955-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND NEW COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2012-06-14 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP disclosed
US-4962203-A ANTIASTHMATIC, ANTIALLERGENIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROST CANADA, INC. (CA) 1990-10-09 US disclosed
EP-0206751-A2 2-Substituted quinolines, their preparation and use MERCK FROSST CANADA INC. (CA) 1986-12-30 EP 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 (8 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-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER DDX21, HRAS, RPL17 HTT 2224/4885ALOX15 3328/4885NPC1 1347/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 HTT 4118/4885ALOX15 1859/4885NPC1 2927/4885
US-20120148955-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND NEW COMPOUND C1R, SLC11A2, RER1 HTT 4048/4885ALOX15 483/4885NPC1 1812/4885
US-20240254110-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 HTT 528/4885ALOX15 1576/4885NPC1 2292/4885
US-11787786-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 HSF1, HSP90AB1, HSPB1 HTT 528/4885ALOX15 1576/4885NPC1 2292/4885
US-20210371416-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES MET, PRKCH, PRKCE HTT 4269/4885ALOX15 4719/4885NPC1 2634/4885
US-20220220097-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 HTT 528/4885ALOX15 1576/4885NPC1 2292/4885
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR HTT 2884/4885ALOX15 1136/4885NPC1 3130/4885

“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.