SCHEMBL2071832

SCHEMBL2071832

c1ccc2cc(-n3ccnc3)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 1.00
CYP11B2 P19099 4/20 1.00
CYP19A1 P11511 3/20 1.00
NCOA3 Q9Y6Q9 1/20 0.66
MAOA P21397 4/20 0.61
MAOB P27338 4/20 0.61
CYP3A4 P08684 1/20 0.60
MEN1 O00255 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
NPC1 O15118 1/20 0.56
CASP3 P42574 1/20 0.56
RAB9A P51151 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
IDO1 P14902 1/20 0.54
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52

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
Trifluoroacetic Acid SCHEMBL4413259 0.85 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1NCOA3MAOA
Trifluoroacetic Acid SCHEMBL2072297 0.85 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1NCOA3MAOA
Trifluoromethanesulfonic Acid SCHEMBL23277132 0.84 CYP11B1 (0.71) CYP11B1CYP11B2CYP19A1NCOA3MAOA
SCHEMBL28274864 0.83 CYP11B1 (0.71) CYP11B1CYP11B2CYP19A1NCOA3MAOA
SCHEMBL13045131 0.82 CYP19A1 (1.00) CYP11B1CYP11B2CYP19A1NCOA3MAOA
SCHEMBL27931325 0.80 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1NCOA3MAOA
SCHEMBL4499181 0.80 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1NCOA3MAOA
SCHEMBL15021420 0.80 CYP19A1 (0.66) CYP11B1CYP11B2CYP19A1NCOA3MAOA
SCHEMBL30718021 0.80 NCOA3 (1.00) CYP11B1CYP11B2CYP19A1NCOA3MAOA
SCHEMBL27703203 0.80 NCOA3 (1.00) CYP11B1CYP11B2CYP19A1NCOA3MAOA

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases UNIVERSITAT DES SAARLANDES (DE) 2009-09-03 US claimed
CN-111258180-B Hexaarylbisimidazoles mixed photoinitiator and application thereof 常州正洁智造科技有限公司 2024-03-08 CN disclosed
CN-111258180-A Hexaarylbisimidazole mixed photoinitiator and application thereof 常州格林感光新材料有限公司 2020-06-09 CN disclosed
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 US disclosed
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 US disclosed
EP-1853261-B1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES UNIV SAARLAND (DE) 2017-01-11 EP disclosed
EP-1853261-B1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES UNIV SAARLAND (DE) 2017-01-11 EP disclosed
CN-103858028-B Optical filter for solid-state imaging device, and solid-state imaging device and camera module using same JSR株式会社 2016-12-28 CN disclosed
CN-101329882-A Information recording medium and optical disc apparatus using the same TOSHIBA KK (JP) 2008-12-24 CN disclosed
CN-100378839-C Information storage medium TOKYO SHIBAURA ELECTRIC CO (JP) 2008-04-02 CN disclosed
CN-101097744-A Write once information recording medium and disk apparatus TOSHIBA KK (JP) 2008-01-02 CN disclosed
EP-1853261-A1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES Universität des Saarlandes (DE) 2007-11-14 EP disclosed
CN-101055737-A Recordable information recording medium and disk apparatus TOSHIBA KK (JP) 2007-10-17 CN disclosed
WO-2006092430-A1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES Universität des Saarlandes (DE) 2006-09-08 WO disclosed
CN-1811943-A Information storage medium TOKYO SHIBAURA ELECTRIC CO (JP) 2006-08-02 CN disclosed
CN-1694167-A Write-once information recording medium TOSHIBA KK (JP) 2005-11-09 CN disclosed
CN-1684171-A Recording material for medium TOSHIBA CORP (JP) 2005-10-19 CN disclosed
CN-1677527-A Write-once information recording medium and coloring matter material therefor TOKYO SHIBAURA ELECTRIC CO (JP) 2005-10-05 CN 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-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 CYP11B1 138/4885CYP11B2 234/4885CYP19A1 6/4885
US-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases CYP11B1, HSD11B1, HSD17B1 CYP11B1 1/4885CYP11B2 5/4885CYP19A1 59/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB CYP11B1 286/4885CYP11B2 389/4885CYP19A1 31/4885

“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.