SCHEMBL12561695

SCHEMBL12561695

O=C(O)c1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.80
KMT2A Q03164 4/20 0.80
ALDH1A1 P00352 3/20 0.80
GLA P06280 3/20 0.80
GAA P10253 3/20 0.80
HPGD P15428 3/20 0.80
MAPK14 Q16539 6/20 0.78
MAPK13 O15264 5/20 0.78
MAPK12 P53778 5/20 0.78
MAPK11 Q15759 5/20 0.78
GCGR P47871 3/20 0.78
MEN1 O00255 3/20 0.76
MAPT P10636 4/20 0.73
TP53 P04637 2/20 0.73
CYP1A2 P05177 1/20 0.71
CYP2C19 P33261 1/20 0.71
GFER P55789 1/20 0.71
TGFBR1 P36897 2/20 0.62
ALOX5 P09917 1/20 0.62
PTPN1 P18031 1/20 0.62

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
SCHEMBL12561714 0.96 KDM4E (0.72) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL2593317 0.93 KDM4E (0.91) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL11176392 0.89 MAPK13 (1.00) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL29103864 0.89 KDM4E (0.83) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL12561570 0.87 KDM4E (0.62) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL29642733 0.86 KDM4E (1.00) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL16497610 0.86 MAPK14 (0.81) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL12561692 0.85 MAPK13 (1.00) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL12561579 0.84 KDM4E (0.76) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL12311111 0.84 KDM4E (0.75) KDM4EKMT2AALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150374669-A1 ARYL IMIDAZOLES AND THEIR USE AS ANTI-CANCER AGENTS LORUS THERAPEUTICS INC. (CA) 2015-12-31 US disclosed
US-20150374669-A1 ARYL IMIDAZOLES AND THEIR USE AS ANTI-CANCER AGENTS LORUS THERAPEUTICS INC. (CA) 2015-12-31 US disclosed
US-8969372-B2 Aryl imidazoles and their use as anti-cancer agents Aptose Boisciences Inc. (CA) 2015-03-03 US disclosed
US-8969372-B2 Aryl imidazoles and their use as anti-cancer agents Aptose Boisciences Inc. (CA) 2015-03-03 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-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
US-20080262015-A9 Aryl imidazoles and their use as anti-cancer agents LORUS THERAPEUTICS INC. (CA) 2008-10-23 US disclosed
US-20080262015-A9 Aryl imidazoles and their use as anti-cancer agents LORUS THERAPEUTICS INC. (CA) 2008-10-23 US disclosed
WO-2005047266-A9 ARYL IMIDAZOLES AND THEIR USE AS ANTI-CANCER AGENTS LORUS THERAPEUTICS INC (CA) 2008-04-17 WO disclosed
US-20070123553-A1 Aryl imidazoles and their use as anti-cancer agents LORUS THERAPEUTICS INC. (CA) 2007-05-31 US disclosed
US-20070123553-A1 Aryl imidazoles and their use as anti-cancer agents LORUS THERAPEUTICS INC. (CA) 2007-05-31 US disclosed
US-20070105929-A1 2, 4, 5 - Trisubstituted Imidazoles And Their Use As Anti-Microbial Agents APTOSE BIOSCIENCES INC. (CA) 2007-05-10 US disclosed
US-20070105929-A1 2, 4, 5 - Trisubstituted Imidazoles And Their Use As Anti-Microbial Agents APTOSE BIOSCIENCES INC. (CA) 2007-05-10 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 (5 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-20110152337-A1 2,4,5-TRISUBSTITUTED IMIDAZOLES AND THEIR USE AS ANTI-MICROBIAL AGENTS IDO2, ERG28, IL4 KDM4E 745/4885KMT2A 2279/4885ALDH1A1 2832/4885
US-20070123553-A1 Aryl imidazoles and their use as anti-cancer agents AHR, AADAC, CBR3 KDM4E 551/4885KMT2A 396/4885ALDH1A1 1142/4885
US-20150374669-A1 ARYL IMIDAZOLES AND THEIR USE AS ANTI-CANCER AGENTS AHR, CBR3, AADAC KDM4E 566/4885KMT2A 362/4885ALDH1A1 1330/4885
US-20070105929-A1 2, 4, 5 - Trisubstituted Imidazoles And Their Use As Anti-Microbial Agents IDO2, ERG28, IL4 KDM4E 745/4885KMT2A 2279/4885ALDH1A1 2832/4885
US-20080262015-A9 Aryl imidazoles and their use as anti-cancer agents AHR, AADAC, CBR3 KDM4E 551/4885KMT2A 396/4885ALDH1A1 1142/4885

“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.