SCHEMBL999003

SCHEMBL999003

NOC(=O)Cc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 3/20 0.42
GFER P55789 2/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39
PPID Q08752 1/20 0.39
PPIG Q13427 1/20 0.39
CA2 P00918 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR2 P34972 1/20 0.39
FDPS P14324 1/20 0.38
PAM P19021 1/20 0.38

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
SCHEMBL16066069 0.83 CA2 (0.59) ALDH1A1CYP4F2CYP4A11MAPK1L3MBTL1
SCHEMBL18269361 0.83 LOXL2 (0.47) ALDH1A1CYP3A4CYP4F2CYP4A11LOXL2
SCHEMBL9510010 0.83 ALDH1A1 (0.42) ALDH1A1CYP3A4GFERTSHRTDP1
SCHEMBL19675576 0.81 L3MBTL1 (0.49) ALDH1A1MAPK1L3MBTL1CYP1A2
SCHEMBL13901673 0.81 ALDH1A1 (0.41) ALDH1A1CYP3A4GFERTSHRTDP1
SCHEMBL7076993 0.81 CYP4F2 (0.63) ALDH1A1GFERCYP4F2CYP4A11GAA
SCHEMBL1161121 0.81 CYP4F2 (0.63) ALDH1A1GFERCYP4F2CYP4A11GAA
SCHEMBL7636789 0.81 POLB (0.53) ALDH1A1CYP3A4TSHRTDP1L3MBTL1
SCHEMBL15744095 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4GFERTSHRTDP1
SCHEMBL229486 0.80 L3MBTL1 (0.61) ALDH1A1TSHRTDP1MAPK1L3MBTL1

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
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
CN-1353706-A Integrin receptor ligands BASF AG (DE) 2002-06-12 CN disclosed
CN-86101382-A Prepare the method for β-Nei Xiananleikangshengsu and the application in medicine thereof 1986-09-03 CN 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 ALDH1A1 1732/4885CYP3A4 2552/4885GFER 1185/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 ALDH1A1 4771/4885CYP3A4 4473/4885GFER 2256/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH ALDH1A1 2546/4885CYP3A4 4761/4885GFER 3889/4885

“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.