SCHEMBL168398

SCHEMBL168398

CCCCCc1cc2ccccc2nc1CCCCC

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.69
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL27870558 0.98 TLR8 (0.68) TLR8KDM4EUSP2ALDH1A1GLA
SCHEMBL28793625 0.98 TLR8 (0.68) TLR8KDM4EUSP2ALDH1A1GLA
SCHEMBL28162401 0.95 TLR8 (0.69) TLR8ALDH1A1GLAMAPTHPGD
SCHEMBL28214718 0.90 TLR8 (0.62) TLR8ALDH1A1GLAMAPTHPGD
SCHEMBL1325776 0.89 TLR8 (0.60) TLR8
SCHEMBL1325742 0.89 TLR8 (0.64) TLR8
SCHEMBL1326148 0.89 TLR8 (0.60) TLR8KDM4EUSP2ALDH1A1GLA
SCHEMBL28146814 0.87 TLR8 (0.62) TLR8ALDH1A1GLAMAPTHPGD
Formamide SCHEMBL28501493 0.86 TLR8 (0.62) TLR8ALDH1A1GAA
SCHEMBL28609423 0.84 TLR8 (0.54) TLR8KDM4EALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024114572-A1 USE OF COMPOUND IN PREPARATION OF DRUG FOR TREATMENT OR PREVENTION OF MYCOBACTERIUM TUBERCULOSIS INFECTION 丹诺医药(苏州)有限公司 2024-06-06 WO claimed
US-11969423-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-04-30 US claimed
EP-4312978-A2 COMPOSITIONS HAVING IMPROVED BIOAVAILABILITY OF THERAPEUTICS TRX Biosciences Limited (GB) 2024-02-07 EP claimed
WO-2023191725-A2 ANTI-TUBERCULAR COMPOSITIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-10-05 WO claimed
WO-2023156648-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-24 WO claimed
CN-110997651-B Novel tetrazole compounds and their use in the treatment of tuberculosis 葛兰素史密斯克莱知识产权发展有限公司 2023-01-03 CN claimed
CN-110804016-B Diaryl quinoline derivatives against mycobacterium tuberculosis 福建省微生物研究所 2022-11-04 CN claimed
CN-110997680-B Novel compound 葛兰素史密斯克莱知识产权发展有限公司 2022-10-21 CN claimed
US-11253499-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-02-22 US claimed
US-11254689-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-02-22 US claimed
WO-2019034700-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 WO claimed
WO-2019034729-A1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 WO claimed
WO-2018206466-A1 SANFETRINEM OR A SALT OR ESTER THEREOF FOR USE IN TREATING MYCOBACTERIAL INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-11-15 WO claimed
WO-2017190043-A1 CEPHALOSPORIN-TYPE COMPOUNDS UNIVERSITY OF KANSAS (US) 2017-11-02 WO claimed
US-20170136102-A1 PHAGE-DERIVED COMPOSITIONS FOR IMPROVED MYCOBACTERIAL THERAPY BACTOCLEAR HOLDINGS PTE. LTD. (SG) 2017-05-18 US claimed
WO-2015145463-A1 PHAGE-DERIVED COMPOSITIONS FOR IMPROVED MYCOBACTERIAL THERAPY GANGAGEN, INC. (US) 2015-10-01 WO claimed
EP-2475365-A1 COMPOSITIONS OF N-BENZYL-3-(4-CHLOROPHENYL)-2-[METHYL-[2-OXO-2-(3,4,5-TRIMETHOXYPHENYL) ACETYL]AMINO]-N-[3-(4-PYRI(DYL)-1-[2-[4-PYRIDYL)ETHYL]PROPYL]PROPANAMIDE AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2012-07-18 EP claimed
WO-2011139832-A2 METHOD FOR TREATING MYCOBACTERIAL INFECTIONS RIB-X PHARMACEUTICALS, INC. (US) 2011-11-10 WO claimed
WO-2011031926-A1 COMPOSITIONS OF N-BENZYL-3-(4-CHLOROPHENYL)-2-[METHYL-[2-OXO-2-(3,4,5-TRIMETHOXYPHENYL) ACETYL]AMINO]-N-[3-(4-PYRIDYL)-1-[2-[4-PYRIDYL)ETHYL]PROPANAMIDE AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-17 WO claimed
US-20110065723-A1 COMPOSITIONS OF N-BENZYL-3-(4-CHLOROPHENYL)-2-[METHYL-[2-OXO-2-(3,4,5-TRIMETHOXYPHENYL)ACETYL]AMINO]-N-[3-(4-PYRIDYL)-1-[2-(4-PYRIDYL)ETHYL]PROPYL]PROPANAMIDE AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-17 US claimed

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-11253499-B2 Compounds SDHA, SDHB, FDPS TLR8 2147/4885KDM4E 4043/4885USP2 4632/4885
US-20110065723-A1 COMPOSITIONS OF N-BENZYL-3-(4-CHLOROPHENYL)-2-[METHYL-[2-OXO-2-(3,4,5-TRIMETHOXYPHENYL)ACETYL]AMINO]-N-[3-(4-PYRIDYL)-1-[2-(4-PYRIDYL)ETHYL]PROPYL]PROPANAMIDE AND USES THEREOF CBR3, B3GNT2, NAA15 TLR8 1533/4885KDM4E 630/4885USP2 2487/4885
US-11254689-B2 Compounds SDHA, SDHB, FDPS TLR8 2147/4885KDM4E 4043/4885USP2 4632/4885
US-11969423-B2 Compounds SDHA, SDHB, FDPS TLR8 2147/4885KDM4E 4043/4885USP2 4632/4885

“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.