SCHEMBL1000855

SCHEMBL1000855

Nc1ccc(CCC(=O)O)c(N)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
KEAP1 Q14145 1/20 0.42
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
FFAR1 O14842 3/20 0.39
HDAC3 O15379 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL9167113 0.85 NPSR1 (0.41) NPSR1KEAP1HPGDCYP2C19POLB
SCHEMBL9168227 0.85 NPSR1 (0.41) NPSR1KEAP1HPGDCYP2C19POLB
SCHEMBL22684293 0.83 FFAR1 (0.42) NPSR1KEAP1HPGDCYP2C19POLB
SCHEMBL1000052 0.82 PTGER1 (0.47) NPSR1KEAP1HPGDCYP2C19FFAR1
SCHEMBL999753 0.79 AKR1B1 (0.43) HPGDCYP2C19CA2
SCHEMBL6492831 0.76 PARP1 (0.50) KEAP1HPGDCYP2C19FFAR1HDAC3
SCHEMBL1000871 0.74 HPGD (0.55) NPSR1KEAP1HPGDCYP2C19POLB
SCHEMBL115272 0.74 HPGD (0.55) NPSR1KEAP1HPGDCYP2C19POLB
SCHEMBL89295 0.73 KEAP1 (0.54) NPSR1KEAP1HPGDCYP2C19FFAR1
SCHEMBL11413993 0.73 FFAR1 (0.50) NPSR1KEAP1HPGDCYP2C19FFAR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903431-A Carbon nano tube composite material and preparation method and application thereof 浙江王点科技有限公司 2024-04-19 CN claimed
CN-117903431-A Carbon nano tube composite material and preparation method and application thereof 浙江王点科技有限公司 2024-04-19 CN disclosed
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 NPSR1 1083/4885KEAP1 2576/4885HPGD 3355/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 NPSR1 1390/4885KEAP1 2843/4885HPGD 2090/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH NPSR1 4506/4885KEAP1 3833/4885HPGD 866/4885

“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.