SCHEMBL3459880

SCHEMBL3459880

Brc1ccc2[nH]c3c(OCCN4CCNCC4)c4[nH]c5ccc(Br)cc5c4cc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.44
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
BAX Q07812 1/20 0.39
LTA4H P09960 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR1A P08908 1/20 0.38
AURKA O14965 1/20 0.37
JAK2 O60674 1/20 0.37
ABL1 P00519 1/20 0.37
CDK1 P06493 1/20 0.37
SRC P12931 1/20 0.37
CCNB1 P14635 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL13463747 0.94 FLT3 (0.40) FLT3PARP1ALDH1A1KDM4EHPGD
SCHEMBL12821562 0.91 FLT3 (0.39) FLT3PARP1ALDH1A1KDM4EHPGD
SCHEMBL3462243 0.89 KMT2A (0.47) FLT3PARP1ALDH1A1KDM4ELTA4H
SCHEMBL3461224 0.87 HSD17B10 (0.49) PARP1ALDH1A1KDM4EHPGDMAPT
SCHEMBL3461974 0.86 FLT3 (0.45) FLT3PARP1ALDH1A1KDM4EHPGD
SCHEMBL3459697 0.84 HRH3 (0.45) ALDH1A1KDM4ELTA4HMAPTHTR1A
SCHEMBL3461041 0.84 ALDH1A1 (0.49) FLT3PARP1ALDH1A1KDM4EHPGD
SCHEMBL3460985 0.82 FLT3 (0.42) FLT3PARP1KDM4ELTA4HSRC
SCHEMBL3462494 0.82 KMT2A (0.38) FLT3ALDH1A1KDM4EHTR1AKMT2A
SCHEMBL3460731 0.81 HSD17B10 (0.48) ALDH1A1KDM4EHPGDCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694057-B1 LIPOXYGENASE INHIBITORS STANFORD RES INST INT (US) 2019-06-05 EP claimed
US-10646471-B2 Lipoxygenase inhibitors SRI INTERNATIONAL (US) 2020-05-12 US disclosed
EP-2694057-B1 LIPOXYGENASE INHIBITORS STANFORD RES INST INT (US) 2019-06-05 EP disclosed
US-20170095450-A1 Lipoxygenase Inhibitors SRI INTERNATIONAL 2017-04-06 US disclosed
EP-2326327-B1 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION STANFORD RES INST INT (US) 2016-03-23 EP disclosed
US-20130345214-A1 Lipoxygenase Inhibitors SRI INTERNATIONAL, INC. (US) 2013-12-26 US disclosed
US-8399502-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2013-03-19 US disclosed
US-8399502-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2013-03-19 US disclosed
US-8399502-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2013-03-19 US disclosed
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection SRI INTERNATIONAL 2012-11-08 US disclosed
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection SRI INTERNATIONAL 2012-11-08 US disclosed
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection SRI INTERNATIONAL 2012-11-08 US disclosed
US-8278341-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2012-10-02 US disclosed
US-8278341-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2012-10-02 US disclosed
US-8278341-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2012-10-02 US disclosed
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection UNITED STATES GOVERNMENT; DEFENSE THREAT REDUCTION AGENCY 2010-03-18 US disclosed
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection UNITED STATES GOVERNMENT; DEFENSE THREAT REDUCTION AGENCY 2010-03-18 US disclosed
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection UNITED STATES GOVERNMENT; DEFENSE THREAT REDUCTION AGENCY 2010-03-18 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-20170095450-A1 Lipoxygenase Inhibitors ALOX15B, ALOX12, ALOX15 FLT3 4609/4885PARP1 850/4885ALDH1A1 608/4885
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 FLT3 2713/4885PARP1 1131/4885ALDH1A1 1789/4885
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 FLT3 2713/4885PARP1 1131/4885ALDH1A1 1789/4885
US-20130345214-A1 Lipoxygenase Inhibitors ALOX15B, ALOX12, ALOX15 FLT3 4609/4885PARP1 850/4885ALDH1A1 608/4885
US-10646471-B2 Lipoxygenase inhibitors ALOX15B, ALOX12, ALOX15 FLT3 4609/4885PARP1 850/4885ALDH1A1 608/4885

“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.