SCHEMBL1000209

SCHEMBL1000209

Nc1ccc(N)c(C(=O)O)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 5/20 0.44
GFER P55789 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 2/20 0.43
POLB P06746 2/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
GLA P06280 2/20 0.41
KEAP1 Q14145 1/20 0.41
ALDH1A1 P00352 5/20 0.40
CDC25B P30305 2/20 0.40
CASP6 P55212 2/20 0.40

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
SCHEMBL31348929 0.88 KMT2A (0.48) KMT2AKDM4EGFERRXFP1MEN1
SCHEMBL3822164 0.88 KMT2A (0.48) KMT2AKDM4EGFERRXFP1MEN1
SCHEMBL31634590 0.85 CASP7 (0.47) KMT2AKDM4EGFERRXFP1MEN1
SCHEMBL7115336 0.85 CASP7 (0.47) KMT2AKDM4EGFERRXFP1MEN1
SCHEMBL1352295 0.85 KDM4E (0.48) KMT2AKDM4EGFERRXFP1MEN1
SCHEMBL26132916 0.84 DPP4 (0.54) KMT2AKDM4EGFERRXFP1MEN1
SCHEMBL11396178 0.84 CD44 (0.43) KMT2AKDM4EGFERRXFP1MEN1
SCHEMBL7597578 0.84 TDP1 (0.41) KMT2AKDM4EGFERRXFP1MEN1
SCHEMBL1201950 0.79 CA12 (0.57) KDM4ETDP1MAPTPOLBPKM
SCHEMBL28965508 0.79 ALDH1A1 (0.43) KMT2AKDM4EGFERRXFP1MEN1

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 11 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-7371866-B2 Preparation of aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2008-05-13 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
WO-2005063385-A1 METHOD FOR OXIDIZING SATURATED HYDROCARBONS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-07-14 WO disclosed
US-20030216577-A1 Preparation of aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-11-20 US disclosed
EP-1362840-A1 Process for the preparation of aromatic and heteroaromatic carboxylic acids via catalytic ozonolysis DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-11-19 EP 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 KMT2A 3406/4885KDM4E 1934/4885GFER 1185/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 KMT2A 4429/4885KDM4E 4472/4885GFER 2256/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH KMT2A 1805/4885KDM4E 3541/4885GFER 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.