SCHEMBL3203014

SCHEMBL3203014

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.49
TLR7 Q9NYK1 6/20 0.49
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
FTO Q9C0B1 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TLR9 Q9NR96 4/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 1/20 0.38
KIF11 P52732 2/20 0.38
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HCRTR1 O43613 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.36
FYN P06241 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL3462210 0.84 KDM4E (0.53) FTOALDH1A1HPGDKDM4EKIF11
SCHEMBL3207259 0.81 KDM4E (0.45) TLR8TLR7CDK1CDK2ALDH1A1
SCHEMBL3205039 0.81 TLR8 (0.53) TLR8TLR7CDK1CDK2ALDH1A1
SCHEMBL3460950 0.80 TLR8 (0.50) TLR8TLR7ALDH1A1TLR9HPGD
Butane SCHEMBL17912768 0.80 KDM4E (0.48) ALDH1A1HPGDSMN1; SMN2KDM4EKIF11
Sr-13668 SCHEMBL1071997 0.78 KDM4E (0.64) CDK1CDK2ALDH1A1HPGDSMN1; SMN2
Sr-13668 SCHEMBL30173443 0.78 KDM4E (0.64) CDK1CDK2ALDH1A1HPGDSMN1; SMN2
Sr-13668 SCHEMBL29381258 0.78 KDM4E (0.64) CDK1CDK2ALDH1A1HPGDSMN1; SMN2
SCHEMBL12813715 0.78 ALDH1A1 (0.57) TLR8TLR7ALDH1A1TLR9HPGD
SCHEMBL12642105 0.75 KDM4E (0.58) CDK2ALDH1A1HPGDSMN1; SMN2KDM4E

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 20 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-2694057-A1 LIPOXYGENASE INHIBITORS SRI International (US) 2014-02-12 EP disclosed
US-20130345214-A1 Lipoxygenase Inhibitors SRI INTERNATIONAL, INC. (US) 2013-12-26 US disclosed
WO-2012135133-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2012-10-04 WO disclosed
US-20120184590-A1 FORMULATIONS OF INDOLE-3-CARBINOL DERIVED ANTITUMOR AGENTS WITH INCREASED ORAL BIOAVAILABILITY UNIVERSITY OF KANSAS (US) 2012-07-19 US disclosed
WO-2010118339-A2 FORMULATIONS OF INDOLE-3-CARBINOL DERIVED ANTITUMOR AGENTS WITH INCREASED ORAL BIOAVAILABILITY UNIVERSITY OF KANSAS (US) 2010-10-14 WO disclosed
US-7666897-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2010-02-23 US disclosed
US-20090023796-A1 Analogs of Indole-3-Carbinol Metabolites as Chemotherapeutic and Chemopreventive Agents SRI INTERNATIONAL (US) 2009-01-22 US disclosed
EP-1530572-B1 ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS STANFORD RES INST INT (US) 2008-10-15 EP disclosed
US-7429610-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2008-09-30 US disclosed
US-7078427-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2006-07-18 US disclosed
EP-1623985-A2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventative agents Sri International (US) 2006-02-08 EP disclosed
EP-1530572-A2 ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS Sri International (US) 2005-05-18 EP disclosed
US-6800655-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL 2004-10-05 US disclosed
US-20040157906-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents JONG LING (US) 2004-08-12 US disclosed
WO-2004018475-A2 ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS SRI INTERNATIONAL (US) 2004-03-04 WO disclosed
US-20040043965-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL 2004-03-04 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 (7 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 TLR8 3602/4885TLR7 4638/4885CDK1 1775/4885
US-20120184590-A1 FORMULATIONS OF INDOLE-3-CARBINOL DERIVED ANTITUMOR AGENTS WITH INCREASED ORAL BIOAVAILABILITY SCD, SCD5, IDO1 TLR8 373/4885TLR7 665/4885CDK1 1534/4885
US-20130345214-A1 Lipoxygenase Inhibitors ALOX15B, ALOX12, ALOX15 TLR8 3602/4885TLR7 4638/4885CDK1 1775/4885
US-10646471-B2 Lipoxygenase inhibitors ALOX15B, ALOX12, ALOX15 TLR8 3602/4885TLR7 4638/4885CDK1 1775/4885
US-20090023796-A1 Analogs of Indole-3-Carbinol Metabolites as Chemotherapeutic and Chemopreventive Agents IDO1, CCND3, CCNA1 TLR8 2773/4885TLR7 2377/4885CDK1 208/4885
US-20040043965-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 TLR8 1999/4885TLR7 2325/4885CDK1 257/4885
US-20040157906-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 TLR8 1999/4885TLR7 2325/4885CDK1 257/4885

“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.