SCHEMBL3365050

SCHEMBL3365050

COc1ccc(N)c(Br)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
EP300 Q09472 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44
ALDH1A1 P00352 6/20 0.43
CYP3A4 P08684 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41

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
SCHEMBL27471733 0.83 IDO1 (0.45) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL6718819 0.81 CA2 (0.47) ALDH1A1TDP1MAPTTUBB4ATUBB
SCHEMBL1122902 0.79 IDO1 (0.50) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL28991121 0.78 ALDH1A1 (0.47) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL32670765 0.77 IDO1 (0.48) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL9455828 0.77 IDO1 (0.48) IDO1EP300KAT8ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL6667575 0.77 EP300 (0.52) IDO1EP300KAT8ALDH1A1CYP3A4
Methane SCHEMBL28127438 0.77 IDO1 (0.48) IDO1EP300KAT8ALDH1A1CYP3A4
SCHEMBL1628136 0.77 CA2 (0.54) ALDH1A1TDP1L3MBTL1MAPTNPSR1
SCHEMBL3273426 0.77 ALOX5AP (0.35) IDO1EP300KAT8ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY SPERMATECH AS (NO) 2023-08-24 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 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 (4 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-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY NR5A1, NR1I3, NR5A2 IDO1 910/4885EP300 2102/4885KAT8 1201/4885
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP IDO1 2602/4885EP300 1770/4885KAT8 1577/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS IDO1 3997/4885EP300 1095/4885KAT8 1730/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 IDO1 2558/4885EP300 1851/4885KAT8 1577/4885

“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.