SCHEMBL1738515

SCHEMBL1738515

BrCCCCc1ncc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.56
TERT O14746 1/20 0.52
ALOX15 P16050 1/20 0.42
TAAR1 Q96RJ0 9/20 0.41
FDPS P14324 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
KLK1 P06870 1/20 0.34
KLK5 Q9Y337 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
SCHEMBL1052115 0.94
Bromide SCHEMBL16167399 0.92 TBXAS1 (0.51) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL3431746 0.89 TBXAS1 (0.66) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL503743 0.87 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL28062565 0.87 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL1999912 0.85
SCHEMBL9777191 0.84 TBXAS1 (0.60) TBXAS1TERTALOX15TAAR1FDPS
Bromide SCHEMBL10788284 0.83
SCHEMBL27220899 0.81 TBXAS1 (0.53) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL9846593 0.81 TBXAS1 (0.58) TBXAS1TERTALOX15TAAR1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE MERCK SHARP & DOHME CORP. (US) 2017-06-29 US disclosed
US-20140309412-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE IONIS PHARMACEUTICALS, INC. 2014-10-16 US disclosed
US-8481712-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME CORP. (US) 2013-07-09 US disclosed
US-20120165515-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2012-06-28 US disclosed
EP-2399588-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-12-28 EP disclosed
EP-2360166-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
US-20070275912-A1 Nucleoside derivatives as inhibitors of rna-dependent RNA viral polymerase MERCK SHARP & DOHME CORP. 2007-11-29 US disclosed
US-7202224-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-20060264390-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase IONIS PHARMACEUTICALS, INC. 2006-11-23 US disclosed
US-7125855-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2006-10-24 US disclosed
EP-1223173-A2 Novel 2'-O-alkyl nucleosides and phosphoramidites processes for the preparation and uses thereof ISIS PHARMACEUTICALS, INC. (US) 2002-07-17 EP disclosed
US-6242592-B1 Process for the preparation of 2′-O-alkyl-guanosine, cytidine, and uridine phosphoramidites ISIS PHARMACEUTICALS, INC. 2001-06-05 US disclosed
US-6133438-A Process for the preparation of 2'-O-alkyl purine phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 2000-10-17 US disclosed
US-5914396-A 2'-O-modified nucleosides and phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 1999-06-22 US disclosed
US-5856466-A Process for the preparation of 2'-O-alkyl purine phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 1999-01-05 US disclosed
US-5646265-A Process for the preparation of 2'-O-alkyl purine phosphoramidites ISIS PHARMCEUTICALS, INC. (US) 1997-07-08 US disclosed
US-5506351-A Process for the preparation of 2'-O-alkyl guanosine and related compounds ISIS PHARMACEUTICALS (US) 1996-04-09 US disclosed
EP-0651759-A4 NOVEL 2'-O-ALKYL NUCLEOSIDES AND PHOSPHORAMIDITES PROCESSES FOR THE PREPARATION AND USES THEREOF. ISIS PHARMACEUTICALS INC (US) 1995-10-25 EP disclosed
EP-0651759-A1 NOVEL 2'-O-ALKYL NUCLEOSIDES AND PHOSPHORAMIDITES PROCESSES FOR THE PREPARATION AND USES THEREOF ISIS PHARMACEUTICALS, INC. (US) 1995-05-10 EP disclosed
WO-1994002501-A1 NOVEL 2'-O-ALKYL NUCLEOSIDES AND PHOSPHORAMIDITES PROCESSES FOR THE PREPARATION AND USES THEREOF ISIS PHARMACEUTICALS, INC. (US) 1994-02-03 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 (5 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-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE POLRMT, DUT, RNASE1 TBXAS1 2157/4885TERT 1191/4885ALOX15 2170/4885
US-20060264390-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT TBXAS1 1797/4885TERT 486/4885ALOX15 1873/4885
US-20140309412-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE NSUN2, NSUN3, POLRMT TBXAS1 1797/4885TERT 486/4885ALOX15 1873/4885
US-20120165515-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT TBXAS1 1797/4885TERT 486/4885ALOX15 1873/4885
US-20070275912-A1 Nucleoside derivatives as inhibitors of rna-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT TBXAS1 1797/4885TERT 486/4885ALOX15 1873/4885

“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.