SCHEMBL1002997

SCHEMBL1002997

NNc1ccc(C(=O)O)c(NN)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
AKR1C3 P42330 8/20 0.44
AKR1C2 P52895 8/20 0.44
GRIK1 P39086 7/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.39
FABP4 P15090 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
Hydrochloric Acid SCHEMBL28205022 0.98 MAPT (0.58) MAPTKDM4ENPC1POLBRAB9A
SCHEMBL12998745 0.83 TDP1 (0.69) MAPTKDM4ENPC1POLBRAB9A
Hydrochloric Acid SCHEMBL17362383 0.82 TDP1 (0.67) MAPTKDM4ENPC1POLBRAB9A
SCHEMBL9472568 0.80 MAPT (0.65) MAPTKDM4ENPC1POLBRAB9A
SCHEMBL6754521 0.80 KDM4E (0.59) MAPTKDM4ENPC1POLBRAB9A
SCHEMBL15154757 0.78 NPC1 (0.58) MAPTKDM4ENPC1POLBRAB9A
SCHEMBL16632333 0.78 ACLY (0.54) KDM4ETDP1AKR1C3AKR1C2GRIK1
SCHEMBL17627435 0.78 GRIK1 (0.58) KDM4ERAB9AGRIK1ALDH1A1
SCHEMBL15545327 0.78 PTPRC (0.50) MAPTKDM4ENPC1POLBRAB9A
SCHEMBL17627412 0.78 KEAP1 (0.53) MAPTKDM4ENPC1POLBRAB9A

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 MAPT 4413/4885KDM4E 1934/4885NPC1 83/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 MAPT 4286/4885KDM4E 4472/4885NPC1 1821/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH MAPT 3090/4885KDM4E 3541/4885NPC1 2526/4885

“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.