SCHEMBL1000084

SCHEMBL1000084

NNc1cccc(C(=O)O)c1NN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.45
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
CDC25B P30305 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PKM P14618 1/20 0.43
FABP4 P15090 3/20 0.43
G6PD P11413 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
MMP2 P08253 1/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
PTGS2 P35354 2/20 0.42
AKR1C3 P42330 2/20 0.42
HIF1A Q16665 2/20 0.42
AKR1B10 O60218 1/20 0.42

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
SCHEMBL725315 0.87 ALDH1A1 (0.52) CLCN2ALDH1A1ALOX15G6PDCASP7
SCHEMBL143766 0.83 ALDH1A1 (0.59) CLCN2ALDH1A1ALOX15CDC25BMEN1
SCHEMBL11226003 0.82 GAA (0.50) ALDH1A1MEN1KMT2APKMLMNA
SCHEMBL1001377 0.82 CYP1A2 (0.41) ALDH1A1ALOX15MEN1KMT2ACYP1A2
Bromide SCHEMBL20984528 0.81 FABP4 (0.57) CLCN2ALDH1A1ALOX15CDC25BMEN1
Hydrochloric Acid SCHEMBL27997789 0.81 FABP4 (0.57) CLCN2ALDH1A1ALOX15CDC25BMEN1
Hydrochloric Acid SCHEMBL1522753 0.81 FABP4 (0.57) CLCN2ALDH1A1ALOX15CDC25BMEN1
SCHEMBL9472562 0.80 PBRM1 (0.49) CLCN2ALDH1A1ALOX15CDC25BMEN1
SCHEMBL999309 0.79 KDM4E (0.37) CLCN2ALDH1A1ALOX15CDC25BKMT2A
Oxalic Acid SCHEMBL20984889 0.79 FABP4 (0.55) CLCN2ALDH1A1ALOX15CDC25BMEN1

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 10 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
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO 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
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 (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 CLCN2 4222/4885ALDH1A1 1732/4885ALOX15 2821/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 CLCN2 4496/4885ALDH1A1 4771/4885ALOX15 219/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH CLCN2 4488/4885ALDH1A1 2546/4885ALOX15 2242/4885

“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.