SCHEMBL1000086

SCHEMBL1000086

NNOC(=O)c1cccc(NN)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 6/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 4/20 0.43
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ROCK1 Q13464 1/20 0.40
TCF4 P15884 1/20 0.39
CTNNB1 P35222 1/20 0.39
TSHR P16473 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
SCHEMBL4614194 0.87 ALDH1A1 (0.48) ALDH1A1RAB9APOLBNPC1MAPT
SCHEMBL11796895 0.84 PBRM1 (0.52) ALDH1A1POLBNPC1MAPTSMN1; SMN2
SCHEMBL2138281 0.84 ALDH1A1 (0.66) ALDH1A1RAB9APOLBNPC1MAPT
SCHEMBL14380453 0.82 ALDH1A1 (0.47) ALDH1A1RAB9APOLBNPC1MAPT
SCHEMBL28222851 0.82 ALDH1A1 (0.47) ALDH1A1RAB9APOLBNPC1MAPT
SCHEMBL20984597 0.82 ALDH1A1 (0.47) ALDH1A1RAB9APOLBNPC1MAPT
Hydrochloric Acid SCHEMBL1403300 0.82 ALDH1A1 (0.64) ALDH1A1RAB9APOLBNPC1MAPT
SCHEMBL27539466 0.79 ALDH1A1 (0.45) ALDH1A1RAB9APOLBNPC1MAPT
SCHEMBL2025451 0.78 SLC7A5 (0.51) ALDH1A1RAB9APOLBNPC1MAPT
SCHEMBL20984737 0.78 RAB9A (0.45) ALDH1A1RAB9APOLBNPC1MAPT

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 ALDH1A1 1732/4885RAB9A 649/4885POLB 1695/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 ALDH1A1 4771/4885RAB9A 3054/4885POLB 1631/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH ALDH1A1 2546/4885RAB9A 2724/4885POLB 6/4885

“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.