SCHEMBL851677

SCHEMBL851677

c1ccc(C2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
CUL4A Q13619 1/20 0.39
GRM1 Q13255 3/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2B P41595 1/20 0.38
GRM5 P41594 2/20 0.37
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL31413811 1.00 CYP2D6 (0.40) CYP2D6CUL4AGRM1CYP1A2CYP3A4
SCHEMBL3848931 0.92 CHEK1 (0.36) CYP2D6CUL4AGRM1CYP1A2CYP3A4
SCHEMBL8610235 0.84 DRD2 (0.44) CYP2D6CYP1A2CYP3A4MAPTLMNA
SCHEMBL292551 0.80 GRM1 (0.32) CYP2D6CUL4AGRM1GRM5HTR2C
SCHEMBL7918631 0.79 CYP1A2 (0.48) CYP2D6CYP1A2CYP3A4MAPTLMNA
SCHEMBL24704510 0.78 EPHX1 (0.37) CYP2D6GRM1SLC6A2SLC6A3ALDH1A1
SCHEMBL11629050 0.78 CYP2A6 (0.44) MAPTMAPK1MEN1KMT2AGAA
SCHEMBL20979795 0.78 GRM1 (0.33) CYP2D6GRM1LMNATP53HTR2C
SCHEMBL29562474 0.78 HTR7 (0.45) CYP2D6CYP1A2CYP3A4MAPTLMNA
SCHEMBL2030957 0.78 MAPT (0.50) MAPTLMNATP53MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042910-B1 2'-SPIRO-NUCLEOSIDES FOR USE IN THE THERAPY OF HEPATITIS C GILEAD PHARMASSET LLC (US) 2019-01-09 EP claimed
US-8680262-B2 Purification of oligonucleotides GIRINDUS AG (DE) 2014-03-25 US claimed
US-20130066061-A1 PURIFICATION OF OLIGONUCLEOTIDES GIRINDUS AG (DE) 2013-03-14 US claimed
US-20100087635-A1 PURIFICATION OF OLIGONUCLEOTIDES GIRINDUS AG (DE) 2010-04-08 US claimed
EP-1846431-A1 PURIFICATION OF OLIGONUCLEOTIDES Girindus AG (DE) 2007-10-24 EP claimed
WO-2006079660-A1 PURIFICATION OF OLIGONUCLEOTIDES GIRINDUS AG (DE) 2006-08-03 WO claimed
US-20040142946-A1 Modified nucleosides and nucleotides and use thereof CHATTOPADHYAYA JYOTI (SE) 2004-07-22 US claimed
EP-1332150-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES AND USE THEREOF Chattopadhyaya, Jyoti (SE) 2003-08-06 EP claimed
WO-2002038578-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES AND USE THEREOF CHATTOPADHYAYA JYOTI (SE) 2002-05-16 WO claimed
US-5721350-A Deuterated nucleosides CHATTOPADHYAYA JYOTI (SE) 1998-02-24 US claimed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 EP claimed
WO-1993025566-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA JYOTI (SE) 1993-12-23 WO claimed
US-11987599-B2 Solid support for synthesizing nucleic acid sequences and methods for making and using UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-05-21 US disclosed
US-11957703-B2 Modulating Nudix homology domain (NHD) with nicotinamide mononucleotide analogs and derivatives of same PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-04-16 US disclosed
US-11878027-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2024-01-23 US disclosed
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-09-21 US disclosed
EP-1386925-A1 Method for preparing oligonucleotides Girindus AG (DE) 2004-02-04 EP disclosed
US-5623068-A Synthesis of DNA using substituted phenylacetyl-protected nucleotides BECKMAN INSTRUMENTS, INC. (US) 1997-04-22 US disclosed
EP-0749436-A1 COMPOSITIONS AND METHODS FOR USE IN THE SYNTHESIS OF OLIGONUCLEOTIDES BECKMAN INSTRUMENTS, INC. (US) 1996-12-27 EP disclosed
WO-1995024413-A1 COMPOSITIONS AND METHODS FOR USE IN THE SYNTHESIS OF OLIGONUCLEOTIDES BECKMAN INSTRUMENTS, INC. (US) 1995-09-14 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 (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-11957703-B2 Modulating Nudix homology domain (NHD) with nicotinamide mononucleotide analogs and derivatives of same NAMPT, NUDT15, NME4 CYP2D6 4840/4885CUL4A 1655/4885GRM1 4401/4885
US-20040142946-A1 Modified nucleosides and nucleotides and use thereof RNASEH1, RNASEL, NSUN2 CYP2D6 1175/4885CUL4A 4535/4885GRM1 4677/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 CYP2D6 4840/4885CUL4A 1655/4885GRM1 4401/4885
US-11878027-B2 Nicotinamide mononucleotide derivatives and their uses NAMPT, NNT, NQO1 CYP2D6 3377/4885CUL4A 3899/4885GRM1 4328/4885
US-11987599-B2 Solid support for synthesizing nucleic acid sequences and methods for making and using RNGTT, NSUN2, POLN CYP2D6 4458/4885CUL4A 3614/4885GRM1 689/4885

“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.