SCHEMBL5255935

SCHEMBL5255935

COCCOCCOc1cccc(C=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAOA P21397 7/20 0.53
MAOB P27338 7/20 0.53
ALDH1A1 P00352 2/20 0.48
SRC P12931 1/20 0.47
TSHR P16473 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FDPS P14324 1/20 0.44
EGFR P00533 1/20 0.44

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
SCHEMBL30461144 1.00 NPC1 (0.55) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL30622749 1.00 NPC1 (0.55) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL4748638 1.00 NPC1 (0.55) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL1279355 0.95 NPC1 (0.59) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL30855377 0.95 NPC1 (0.59) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL15426822 0.92 MAOA (0.60) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL22181586 0.92 MAOA (0.60) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL17364458 0.89 NPC1 (0.61) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL5001878 0.89 NPC1 (0.54) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL695627 0.87 NPC1 (0.57) NPC1RAB9ATDP1MAOAMAOB

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
CN-116969904-A Compounds useful as autophagy modulators, methods of preparation and uses thereof 微境生物医药科技(上海)有限公司 2023-10-31 CN disclosed
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 EP disclosed
CN-111148740-B Compounds useful as autophagy modulators, methods of preparation and uses thereof 微境生物医药科技(上海)有限公司 2023-08-25 CN disclosed
CN-112521529-B LED sensitive distyryl oxime ester photoinitiator and preparation and application thereof 同济大学 2022-07-08 CN disclosed
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 US disclosed
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 US disclosed
CN-112521529-A LED sensitive distyryl oxime ester photoinitiator and preparation and application thereof 同济大学 2021-03-19 CN disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 US disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 US disclosed
CN-111148740-A Compounds useful as autophagy modulators and methods of making and using the same 微境生物医药科技(上海)有限公司 2020-05-12 CN disclosed
EP-3632903-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2020-04-08 EP disclosed
EP-1458707-B1 New Indol-2-one derivatives ASTRAZENECA AB (SE) 2007-05-02 EP disclosed
US-7205314-B2 Compounds for the treatment of dementia related diseases ASTRAZENECA AB (SE) 2007-04-17 US disclosed
US-20050065170-A1 associated with the inhibition of glycogen synthase kinase-3, prevention and/or treatment of dementia related disease, Alzheimer's Disease etc.; example: 3-[6-(2-Methoxyethoxy)isoquinolin-1-yl]-2-oxo-2,3-dihydro-1H-indole-5-carbonitrile ASTRAZENECA AB (SE) 2005-03-24 US disclosed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US disclosed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
EP-1458707-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
WO-2003053330-A2 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER’S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2003-07-03 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 (4 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-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof ATG7, SQSTM1, BECN1 NPC1 231/4885RAB9A 130/4885TDP1 3746/4885
US-20050065170-A1 associated with the inhibition of glycogen synthase kinase-3, prevention and/or treatment of dementia related disease, Alzheimer's Disease etc.; example: 3-[6-(2-Methoxyethoxy)isoquinolin-1-yl]-2-oxo-2,3-dihydro-1H-indole-5-carbonitrile GSK3A, GSK3B, PYGB NPC1 1617/4885RAB9A 3755/4885TDP1 619/4885
US-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 NPC1 254/4885RAB9A 1000/4885TDP1 704/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 NPC1 231/4885RAB9A 130/4885TDP1 3746/4885

“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.