SCHEMBL1001377

SCHEMBL1001377

NNc1ccc(C(=O)O)c(NN)c1NN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
MAPT P10636 8/20 0.39
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 5/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
TSHR P16473 1/20 0.38
MAP2K1 Q02750 2/20 0.37
MAP2K2 P36507 1/20 0.37
ALOX15 P16050 1/20 0.36
GAA P10253 2/20 0.35
PTPN1 P18031 2/20 0.35

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
SCHEMBL1000084 0.82 CLCN2 (0.45) CYP1A2MAPTALDH1A1KDM4EPOLB
SCHEMBL999307 0.77 MAPT (0.40) MAPTALDH1A1KDM4EPOLBTDP1
SCHEMBL725315 0.76 ALDH1A1 (0.52) MAPTALDH1A1KDM4EPOLBTDP1
SCHEMBL27837466 0.75 NPC1 (0.42) CYP1A2MAPTALDH1A1KDM4EPOLB
SCHEMBL20466337 0.75 CA12 (0.57) MAPTALDH1A1KDM4ETDP1RAB9A
SCHEMBL6207171 0.73 KDM4E (0.46) CYP1A2MAPTALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL7975455 0.73 NPC1 (0.41) CYP1A2MAPTALDH1A1KDM4EPOLB
SCHEMBL27427581 0.72 CDC25B (0.47) ALDH1A1KDM4ETSHRALOX15KMT2A
Hydrochloric Acid SCHEMBL7848809 0.72 KDM4E (0.44) CYP1A2MAPTALDH1A1KDM4EPOLB
SCHEMBL143766 0.71 ALDH1A1 (0.59) CYP1A2MAPTALDH1A1KDM4EPOLB

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 CYP1A2 3094/4885MAPT 4413/4885ALDH1A1 1732/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 CYP1A2 4441/4885MAPT 4286/4885ALDH1A1 4771/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH CYP1A2 4344/4885MAPT 3090/4885ALDH1A1 2546/4885

“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.