SCHEMBL1001580

SCHEMBL1001580

COC(=O)N(CCCCC(=O)O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
SLC6A3 Q01959 2/20 0.38
HTR2C P28335 1/20 0.38
LTA4H P09960 2/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
KDM4A O75164 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A3 O75751 1/20 0.36
EGFR P00533 1/20 0.36
GPR3 P46089 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL5840878 0.99 KMT2A (0.47) KMT2ASLC6A3HTR2CLTA4HCYP2D6
SCHEMBL4922980 0.99 KMT2A (0.47) KMT2ASLC6A3HTR2CLTA4HCYP2D6
SCHEMBL16718185 0.96 KMT2A (0.43) KMT2ASLC6A3HTR2CLTA4HCYP2D6
SCHEMBL3202976 0.92 KMT2A (0.40) KMT2ASLC6A3LTA4HCYP2D6SLC6A2
SCHEMBL31355071 0.92 KMT2A (0.40) KMT2ASLC6A3LTA4HCYP2D6SLC6A2
SCHEMBL258987 0.87 KMT2A (0.37) KMT2ASLC6A3LTA4HCYP2D6SLC6A2
SCHEMBL28287654 0.85 BCHE (0.40) SLC22A2SLC22A3
SCHEMBL28900959 0.85 CYP2D6 (0.39) KMT2ASLC6A3CYP2D6SLC6A2SLC6A4
SCHEMBL27486738 0.84 SLC22A2 (0.38) KMT2ASLC6A3CYP2D6SLC6A2SLC6A4
SCHEMBL20767261 0.84 ALDH1A1 (0.39) KMT2ASLC6A3LTA4HCYP2D6SLC6A2

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 6 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
WO-2010136778-A1 DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2010-12-02 WO disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 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 (1 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-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 KMT2A 4429/4885SLC6A3 4820/4885HTR2C 4114/4885

“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.