SCHEMBL1000803

SCHEMBL1000803

CC(C(=O)O)c1cc(N)cc(N)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 11/20 0.36
PTGS1 P23219 8/20 0.36
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
CXCL8 P10145 2/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
RAB9A P51151 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL1000705 0.78 KDM4E (0.44) KDM4EMEN1KMT2ATDP1PTGS2
SCHEMBL1000870 0.77 MAPT (0.41) KDM4EMEN1KMT2ATDP1PTGS2
SCHEMBL1001487 0.74 PTGS2 (0.44) KDM4EMEN1KMT2APTGS2PTGS1
SCHEMBL1000051 0.73 CXCL8 (0.44) KDM4EPTGS2PTGS1SMN1; SMN2HSD17B10
SCHEMBL7076065 0.71 PTGS2 (0.45) KDM4EPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL999861 0.71 PTGS2 (0.45) KDM4EPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL1000854 0.71 PTGS2 (0.37) PTGS2PTGS1AKR1C3AKR1C2CXCR1
SCHEMBL10917119 0.70 PTGS2 (0.44) MEN1KMT2APTGS2PTGS1AKR1C3
SCHEMBL5215577 0.68 PTGS2 (0.52) KDM4EPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL59839 0.68 PTGS2 (0.52) KDM4EPTGS2PTGS1AKR1C3AKR1C2

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 KDM4E 1934/4885MEN1 4687/4885KMT2A 3406/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 KDM4E 4472/4885MEN1 3085/4885KMT2A 4429/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH KDM4E 3541/4885MEN1 3230/4885KMT2A 1805/4885

“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.