SCHEMBL1013714

SCHEMBL1013714

COc1ccc(Cl)c2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
AHR P35869 1/20 0.38
RHEB Q15382 3/20 0.37
NQO1 P15559 1/20 0.35
NR4A2 P43354 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
S1PR4 O95977 1/20 0.34
HSP90AA1 P07900 1/20 0.34
G6PD P11413 1/20 0.34
S1PR1 P21453 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL12422267 0.85 P2RX7 (0.36) NR3C1PGRAHRRHEBKDM4E
SCHEMBL593491 0.84 KDM4E (0.42) NR3C1PGRNQO1KDM4EMAPT
SCHEMBL25748345 0.78 NR3C1 (0.41) NR3C1PGRNQO1KDM4EMAPT
SCHEMBL30403479 0.78 P2RX7 (0.40) NR3C1PGRRHEBMAPTMEN1
SCHEMBL13555276 0.77 BRD4 (0.36) NR3C1PGRNQO1KDM4EMAPT
SCHEMBL594175 0.77 BRD4 (0.40) NR3C1PGRAHRNQO1KDM4E
SCHEMBL30483742 0.77 TNF (0.36) NR3C1PGRNQO1KDM4EMAPK1
SCHEMBL25748525 0.77 TNF (0.36) NR3C1PGRNQO1KDM4EMAPK1
SCHEMBL3061065 0.77 IDO1 (0.50) NR3C1PGRNQO1KDM4EMAPT
SCHEMBL2599781 0.77 AHR (0.48) NR3C1PGRAHRRHEBKMT2A

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-20170283397-A1 SUBSTITUTED 1-H-INDOL-3-YL-BENZAMIDE AND 1, 1'-BIPHENYL ANALOGS AS HISTONE DEMETHYLASE INHIBITORS UNIV UTAH RES FOUND (US) 2017-10-05 US disclosed
US-20170283397-A1 SUBSTITUTED 1-H-INDOL-3-YL-BENZAMIDE AND 1, 1'-BIPHENYL ANALOGS AS HISTONE DEMETHYLASE INHIBITORS UNIV UTAH RES FOUND (US) 2017-10-05 US disclosed
WO-2012009617-A3 METHODS, STORAGE MEDIUMS, AND SYSTEMS FOR ANALYZING PARTICLE QUANTITY AND DISTRIBUTION WITHIN AN IMAGING REGION OF AN ASSAY ANALYSIS SYSTEM AND FOR EVALUATING THE PERFORMANCE OF A FOCUSING ROUTING PERFORMED ON AN ASSAY ANALYSIS SYSTEM LUMINEX CORPORATION (US) 2012-05-10 WO disclosed
EP-2271617-B1 SUBSTITUTED 4-HYDROXY-N- (4-HYDROXYPHENYL) INDOLES AS ESTROGENIC AGENTS GLAXO GROUP LTD (GB) 2011-11-30 EP disclosed
US-7956083-B2 Compounds GLAXO GROUP LIMITED (GB) 2011-06-07 US disclosed
US-7956083-B2 Compounds GLAXO GROUP LIMITED (GB) 2011-06-07 US disclosed
US-7956083-B2 Compounds GLAXO GROUP LIMITED (GB) 2011-06-07 US disclosed
EP-2271617-A1 SUBSTITUTED 4-HYDROXY-N- (4-HYDROXYPHENYL) INDOLES AS ESTROGENIC AGENTS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
US-20100324106-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-20100324106-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-20100324106-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7855225-B2 17βHSD type 5 inhibitor ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
WO-2009103710-A1 SUBSTITUTED 4-HYDROXY-N- (4-HYDROXYPHENYL) INDOLES AS ESTROGENIC AGENTS GLAXO GROUP LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103710-A1 SUBSTITUTED 4-HYDROXY-N- (4-HYDROXYPHENYL) INDOLES AS ESTROGENIC AGENTS GLAXO GROUP LIMITED (GB) 2009-08-27 WO disclosed
US-20090181960-A1 Selective enzyme inhibitors of 17-beta-hydroxysteroid dehydrogenase (17 beta HSD); 1-[(4-bromophenyl)sulfonyl]-1H-indole-3-carboxylic acid, andanalogues; benign prostate hyperplasia; prostate cancer; acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, breast cancer ASTELLAS PHARMA INC. (JP) 2009-07-16 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 (3 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-20170283397-A1 SUBSTITUTED 1-H-INDOL-3-YL-BENZAMIDE AND 1, 1'-BIPHENYL ANALOGS AS HISTONE DEMETHYLASE INHIBITORS KDM1A, KDM1B, KDM3A NR3C1 1394/4885PGR 3028/4885AHR 56/4885
US-20100324106-A1 COMPOUNDS ESR2, GPER1, ESR1 NR3C1 25/4885PGR 16/4885AHR 96/4885
US-20090181960-A1 Selective enzyme inhibitors of 17-beta-hydroxysteroid dehydrogenase (17 beta HSD); 1-[(4-bromophenyl)sulfonyl]-1H-indole-3-carboxylic acid, andanalogues; benign prostate hyperplasia; prostate cancer; acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, breast cancer CYP17A1, HSD17B3, HSD17B1 NR3C1 177/4885PGR 159/4885AHR 94/4885

“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.