SCHEMBL999927

SCHEMBL999927

NOC(=O)c1ccc(N)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MAPT P10636 7/20 0.48
KDM4E B2RXH2 7/20 0.48
HPGD P15428 6/20 0.48
HSD17B10 Q99714 3/20 0.48
GAA P10253 3/20 0.48
GLA P06280 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 1/20 0.41
USP2 O75604 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 2/20 0.38

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
SCHEMBL12909727 0.83 CA12 (0.46) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL19176510 0.83 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL12373225 0.82 KDM4E (0.52) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL29375113 0.81 KDM4E (0.72) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL192100 0.81 KDM4E (0.72) ALDH1A1MAPTKDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL7251305 0.79 KDM4E (0.70) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL27783257 0.79 KDM4E (0.46) ALDH1A1MAPTKDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL1223871 0.79 KDM4E (0.70) ALDH1A1MAPTKDM4EHPGDHSD17B10
Ammonia Solution, Strong SCHEMBL5311634 0.79 KDM4E (0.70) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL1065026 0.78 MAPT (0.44) ALDH1A1MAPTLMNAL3MBTL1TDP1

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 7 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
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

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 ALDH1A1 1732/4885MAPT 4413/4885KDM4E 1934/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 ALDH1A1 4771/4885MAPT 4286/4885KDM4E 4472/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH ALDH1A1 2546/4885MAPT 3090/4885KDM4E 3541/4885

“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.