SCHEMBL1003575

SCHEMBL1003575

Nc1cccc(/C=C\C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 1.00
CYP19A1 P11511 2/20 0.62
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
HDAC3 O15379 2/20 0.61
HDAC4 P56524 2/20 0.61
HDAC1 Q13547 2/20 0.61
HDAC7 Q8WUI4 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC10 Q969S8 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC9 Q9UKV0 2/20 0.61
HDAC5 Q9UQL6 2/20 0.61
HCAR2 Q8TDS4 2/20 0.61
TNKS O95271 1/20 0.61
TNKS2 Q9H2K2 1/20 0.61
PRMT1 Q99873 1/20 0.55
KDM4E B2RXH2 5/20 0.53

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
SCHEMBL30791063 1.00 NPSR1 (1.00) NPSR1CYP19A1MAOAMAOBHDAC3
SCHEMBL1000885 1.00 NPSR1 (1.00) NPSR1CYP19A1MAOAMAOBHDAC3
SCHEMBL29777960 1.00 NPSR1 (1.00) NPSR1CYP19A1MAOAMAOBHDAC3
SCHEMBL1000884 1.00 NPSR1 (1.00) NPSR1CYP19A1MAOAMAOBHDAC3
SCHEMBL6797343 0.90 NPSR1 (0.81) NPSR1CYP19A1MAOAMAOBHDAC3
SCHEMBL6797338 0.90 NPSR1 (0.81) NPSR1CYP19A1MAOAMAOBHDAC3
SCHEMBL29619510 0.86 NPSR1 (0.76) NPSR1CYP19A1MAOAMAOBKDM4E
SCHEMBL271386 0.86 NPSR1 (0.74) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL69146 0.86 NPSR1 (0.74) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9775644 0.85 NPSR1 (0.73) NPSR1CYP19A1MAOAMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US 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 1083/4885CYP19A1 4603/4885MAOA 3790/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 NPSR1 1390/4885CYP19A1 3727/4885MAOA 3370/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH NPSR1 4506/4885CYP19A1 2943/4885MAOA 2774/4885

“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.