SCHEMBL1170565

SCHEMBL1170565

CC(C(=O)O)c1[nH]c2ccccc2c1-c1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.56
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
GLA P06280 3/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
GUSB P08236 1/20 0.41
RAB9A P51151 1/20 0.41
NT5E P21589 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 1/20 0.39
POLB P06746 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 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
SCHEMBL1170149 0.82 NOX1 (0.73) NOX1ALOX5KDM4EKMT2AALDH1A1
SCHEMBL12601193 0.79 NOX1 (0.64) NOX1ALOX5KDM4EKMT2AALDH1A1
SCHEMBL1170234 0.78 NOX1 (0.62) NOX1ALOX5KDM4EKMT2AALDH1A1
SCHEMBL1071183 0.73 NOX1 (1.00) NOX1ALOX5KDM4EKMT2AALDH1A1
SCHEMBL5570317 0.71 NT5E (0.47) NOX1ALOX5KDM4EKMT2AALDH1A1
SCHEMBL12561595 0.71 NOX1 (0.52) NOX1ALOX5KDM4EKMT2AALDH1A1
SCHEMBL8797410 0.70 NOX1 (0.72) NOX1ALOX5KDM4EKMT2AALDH1A1
SCHEMBL1170563 0.70 NT5E (0.74) NOX1ALOX5KDM4EKMT2AGAA
SCHEMBL12561659 0.69 NT5E (0.58) NOX1KDM4EKMT2AALDH1A1GLA
SCHEMBL14023509 0.69 NT5E (0.58) NOX1KDM4EKMT2AALDH1A1GLA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987305-B2 2,4,5-trisubstituted imidazoles and their use as anti-microbial agents APTOSE BIOSCIENCES INC. (CA) 2015-03-24 US claimed
US-20130177632-A1 2,4,5-TRISUBSTITUTED IMIDAZOLES AND THEIR USE AS ANTI-MICROBIAL AGENTS APTOSE BIOSCIENCES INC. (CA) 2013-07-11 US claimed
US-20070105929-A1 2, 4, 5 - Trisubstituted Imidazoles And Their Use As Anti-Microbial Agents APTOSE BIOSCIENCES INC. (CA) 2007-05-10 US claimed
US-8987305-B2 2,4,5-trisubstituted imidazoles and their use as anti-microbial agents APTOSE BIOSCIENCES INC. (CA) 2015-03-24 US disclosed
US-20130177632-A1 2,4,5-TRISUBSTITUTED IMIDAZOLES AND THEIR USE AS ANTI-MICROBIAL AGENTS APTOSE BIOSCIENCES INC. (CA) 2013-07-11 US disclosed
US-8394815-B2 2,4,5-trisubstituted imidazoles and their use as anti-microbial agents LORUS THERAPEUTICS INC. (CA) 2013-03-12 US disclosed
US-20110152337-A1 2,4,5-TRISUBSTITUTED IMIDAZOLES AND THEIR USE AS ANTI-MICROBIAL AGENTS LORUS THERAPEUTICS INC. (CA) 2011-06-23 US disclosed
US-7884120-B2 microbiocides such as 2-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole; bactericides; fungicides LORUS THERAPEUTICS INC. (CA) 2011-02-08 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-20130177632-A1 2,4,5-TRISUBSTITUTED IMIDAZOLES AND THEIR USE AS ANTI-MICROBIAL AGENTS IDO2, ERG28, IL4 NOX1 140/4885ALOX5 748/4885KDM4E 745/4885
US-20110152337-A1 2,4,5-TRISUBSTITUTED IMIDAZOLES AND THEIR USE AS ANTI-MICROBIAL AGENTS IDO2, ERG28, IL4 NOX1 140/4885ALOX5 748/4885KDM4E 745/4885
US-20070105929-A1 2, 4, 5 - Trisubstituted Imidazoles And Their Use As Anti-Microbial Agents IDO2, ERG28, IL4 NOX1 140/4885ALOX5 748/4885KDM4E 745/4885

“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.