SCHEMBL3460950

SCHEMBL3460950

COc1c2[nH]c3ccc(C(N)=O)cc3c2cc2c1[nH]c1ccc(C(=O)N(CCN(C)C)CCN(C)C)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.50
TLR7 Q9NYK1 11/20 0.50
TLR9 Q9NR96 10/20 0.50
JAK2 O60674 3/20 0.41
MAP2K7 O14733 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2C P28335 1/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL3203014 0.80 TLR8 (0.49) TLR8TLR7TLR9KDM4EALDH1A1
SCHEMBL3460953 0.80 HTR1A (0.41) TLR8TLR7TLR9JAK2MAP2K7
SCHEMBL12813715 0.77 ALDH1A1 (0.57) TLR8TLR7TLR9JAK2HTR2C
SCHEMBL3462210 0.74 KDM4E (0.53) JAK2KDM4EALDH1A1HPGD
Butane SCHEMBL17912768 0.72 KDM4E (0.48) JAK2KDM4EALDH1A1HPGD
Sr-13668 SCHEMBL1071997 0.71 KDM4E (0.64) JAK2KDM4EALDH1A1HPGDHSD17B10
Sr-13668 SCHEMBL29381258 0.71 KDM4E (0.64) JAK2KDM4EALDH1A1HPGDHSD17B10
Sr-13668 SCHEMBL30173443 0.71 KDM4E (0.64) JAK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31295694 0.70 OPRD1 (0.46) HTR1AHTR1DHTR2CALDH1A1HPGD
SCHEMBL1920667 0.70 KMT2A (0.52) KDM4EALDH1A1HPGDHSD17B10

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
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 TLR8 126/4885TLR7 1052/4885TLR9 725/4885
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 TLR8 126/4885TLR7 1052/4885TLR9 725/4885

“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.