SCHEMBL3208207

SCHEMBL3208207

CCOC(=O)c1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRB2 P47870 1/20 0.53
GAA P10253 3/20 0.51
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HCRTR1 O43613 2/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
MAPK10 P53779 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 1/20 0.46
PRNP P04156 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL3197990 0.85 KDM4E (0.67) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL31486111 0.84 GABRA1 (0.51) GABRA1GABRB1GABRA3GABRB2GAA
SCHEMBL21954408 0.83 GAA (0.72) GABRA1GABRB1GABRA3GABRB2GAA
SCHEMBL12813732 0.82 ALDH1A1 (0.62) GABRA1GABRB1GABRA3GABRB2GAA
SCHEMBL3199599 0.82 GABRA1 (0.48) GABRA1GABRB1GABRA3GABRB2ALDH1A1
SCHEMBL25263341 0.81 GAA (0.54) GABRA1GABRB1GABRA3GABRB2GAA
SCHEMBL9434377 0.79 ALDH1A1 (0.51) GABRA1GABRB1GABRA3GABRB2GAA
SCHEMBL31052359 0.79 GAA (0.55) GABRA1GABRB1GABRA3GABRB2GAA
SCHEMBL25219268 0.79 GAA (0.55) GABRA1GABRB1GABRA3GABRB2GAA
SCHEMBL15966771 0.79 KDM5A (0.59) GABRA1GABRB1GABRA3GABRB2GAA

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 19 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
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 GABRA1 1815/4885GABRB1 1171/4885GABRA3 1707/4885
US-20120184590-A1 FORMULATIONS OF INDOLE-3-CARBINOL DERIVED ANTITUMOR AGENTS WITH INCREASED ORAL BIOAVAILABILITY SCD, SCD5, IDO1 GABRA1 3176/4885GABRB1 2764/4885GABRA3 1918/4885
US-20130345214-A1 Lipoxygenase Inhibitors ALOX15B, ALOX12, ALOX15 GABRA1 1815/4885GABRB1 1171/4885GABRA3 1707/4885
US-10646471-B2 Lipoxygenase inhibitors ALOX15B, ALOX12, ALOX15 GABRA1 1815/4885GABRB1 1171/4885GABRA3 1707/4885
US-20090023796-A1 Analogs of Indole-3-Carbinol Metabolites as Chemotherapeutic and Chemopreventive Agents IDO1, CCND3, CCNA1 GABRA1 4467/4885GABRB1 4453/4885GABRA3 3980/4885
US-20040043965-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 GABRA1 4066/4885GABRB1 3636/4885GABRA3 4091/4885
US-20040157906-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 GABRA1 4066/4885GABRB1 3636/4885GABRA3 4091/4885

“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.