SCHEMBL14765169

SCHEMBL14765169

Fc1ccc(-n2ncc3ccc(Br)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.51
PGR P06401 5/20 0.47
CYP11B2 P19099 3/20 0.46
IRAK4 Q9NWZ3 2/20 0.46
CYP11B1 P15538 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
SCHEMBL3011613 0.87 NR3C1 (0.62) NR3C1PGRCYP11B2
SCHEMBL15505492 0.81 NR3C1 (0.65) NR3C1PGRCYP11B2CYP11B1
SCHEMBL30375949 0.81 NR3C1 (0.60) NR3C1PGRCYP11B2CYP11B1
SCHEMBL25800348 0.81 NR3C1 (0.60) NR3C1PGRCYP11B2CYP11B1
SCHEMBL30947650 0.81 CYP11B2 (0.52) NR3C1PGRCYP11B2CYP11B1
SCHEMBL14852598 0.77 CYP11B2 (0.52) NR3C1CYP11B2IRAK4CYP11B1
SCHEMBL29623687 0.77 CYP11B2 (0.52) NR3C1PGRCYP11B2CYP11B1
SCHEMBL20603941 0.77 CYP11B2 (0.52) NR3C1PGRCYP11B2CYP11B1
SCHEMBL1542061 0.77 NR3C1 (0.55) NR3C1PGRCYP11B2
SCHEMBL1542086 0.77 NR3C1 (0.57) NR3C1PGRCYP11B2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753611-B1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
EP-2753611-B1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
US-9193744-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-11-24 US disclosed
US-9193744-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-11-24 US disclosed
US-9193744-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-11-24 US disclosed
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
EP-2892527-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS AbbVie Inc. (US) 2015-07-15 EP disclosed
US-20140162985-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-12 US disclosed
US-20140162985-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-12 US disclosed
US-20140162985-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-12 US disclosed
WO-2014039757-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-03-13 WO disclosed
WO-2014039757-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-03-13 WO disclosed
WO-2013034048-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013034048-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO 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-20150246902-A1 SUBSTITUED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES EIF5B, EIF2AK2, HCCS NR3C1 2303/4885PGR 2762/4885CYP11B2 371/4885
US-20140162985-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 NR3C1 6/4885PGR 26/4885CYP11B2 47/4885

“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.