SCHEMBL4752880

SCHEMBL4752880

CC(C)c1cn(C)c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.40
CRBN Q96SW2 1/20 0.38
HTT P42858 1/20 0.36
MET P08581 6/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
PMP22 Q01453 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
MAP4K4 O95819 1/20 0.34
ABL1 P00519 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
LTK P29376 1/20 0.34
GRK5 P34947 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CDK8 P49336 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
SCHEMBL18858880 0.78 TDP1 (0.52) DAOCRBNHTTMETCHEK1
SCHEMBL12747303 0.78 MET (0.38) DAOHTTMETCHEK1AURKA
SCHEMBL12341287 0.76 HTT (0.44) DAOHTTTYMPMAPTALDH1A1
SCHEMBL23246136 0.76 GRIA1 (0.38) DAOCRBNHTTMAPTKDM4E
SCHEMBL25612853 0.75 MET (0.40) DAOMETCHEK1AURKAMAP4K4
SCHEMBL13384443 0.75 SMN1; SMN2 (0.40) HTTMAPK1TYMPMAPTKDM4E
SCHEMBL10953281 0.75 GRIA1 (0.36) DAOHTTMETCYP3A4TYMP
SCHEMBL6889351 0.74 CRBN (0.40) DAOCRBNHTT
SCHEMBL21308060 0.72 MET (0.35) DAOMETCHEK1AURKAMAP4K4
SCHEMBL20870268 0.72 GRIA1 (0.38) HTTMAPK1TYMPMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212369-A1 NUCLEOTIDE CYCLIC CLEAVABLE MOIETIES AND USES THEREOF Singular Genomics Systems, Inc. (US) 2023-11-02 WO disclosed
US-20230332184-A1 TEMPLATE GUIDE RNA MOLECULES FLAGSHIP PIONEERING INNOVATIONS VI, LLC 2023-10-19 US disclosed
US-20230332184-A1 TEMPLATE GUIDE RNA MOLECULES FLAGSHIP PIONEERING INNOVATIONS VI, LLC 2023-10-19 US disclosed
US-20230309833-A1 METHODS AND MATERIALS FOR USING [18F]-F-ARAG IN CARDIAC IMAGING CELLSIGHT TECHNOLOGIES INC. (US) 2023-10-05 US disclosed
US-20220411860-A1 DESIGN AND SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-12-29 US disclosed
US-10780150-B2 Glycosylated oligonucleotides that mimic the HIV-1 epitope of neutralizing monoclonal antibody 2G12 BRANDEIS UNIVERSITY (US) 2020-09-22 US disclosed
WO-2020146397-A1 NUCLEOTIDE CLEAVABLE LINKERS AND USES THEREOF Singular Genomics Systems, Inc. (US) 2020-07-16 WO disclosed
US-10385088-B2 Polynucleotide molecules and uses thereof MODERNATX, INC. (US) 2019-08-20 US disclosed
US-10378017-B2 High temperature selection of nucleotide-supported carbohydrate vaccines and resulting glycosylated oligonucleotides BRANDEIS UNIVERSITY (US) 2019-08-13 US disclosed
US-20190117748-A1 GLYCOSYLATED OLIGONUCLEOTIDES THAT MIMIC THE HIV-1 EPITOPE OF NEUTRALIZING MONOCLONAL ANTIBODY 2G12 BRANDEIS UNIVERSITY 2019-04-25 US disclosed
US-8481738-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2013-07-09 US disclosed
US-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2013-02-14 US disclosed
US-8263588-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2012-09-11 US disclosed
US-20120122891-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2012-05-17 US disclosed
US-8084614-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2011-12-27 US disclosed
US-20110250138-A1 SINGLE-STRANDED AND DOUBLE-STRANDED OLIGONUCLEOTIDES COMPRISING A METAL-CHELATING LIGAND ALNYLAM PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-20110070192-A1 Method of preparation of novel nucleoside analogs and uses AUSPEX PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-07-22 US disclosed
US-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-06-17 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US 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 (11 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-10385088-B2 Polynucleotide molecules and uses thereof NSUN3, POLRMT, TRDMT1 DAO 3223/4885CRBN 2157/4885HTT 655/4885
US-20120122891-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR DAO 2752/4885CRBN 4135/4885HTT 1759/4885
US-20220411860-A1 DESIGN AND SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS POLL, POLQ, POLB DAO 914/4885CRBN 2362/4885HTT 2861/4885
US-20110070192-A1 Method of preparation of novel nucleoside analogs and uses RNGTT, TYMP, SLC29A1 DAO 1709/4885CRBN 4813/4885HTT 3741/4885
US-10378017-B2 High temperature selection of nucleotide-supported carbohydrate vaccines and resulting glycosylated oligonucleotides RNGTT, BPGM, TLR9 DAO 1245/4885CRBN 3924/4885HTT 4076/4885
US-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR DAO 2769/4885CRBN 4234/4885HTT 1876/4885
US-20110250138-A1 SINGLE-STRANDED AND DOUBLE-STRANDED OLIGONUCLEOTIDES COMPRISING A METAL-CHELATING LIGAND SLC40A1, SLCO1B1, SLCO2A1 DAO 3690/4885CRBN 4139/4885HTT 1507/4885
US-10780150-B2 Glycosylated oligonucleotides that mimic the HIV-1 epitope of neutralizing monoclonal antibody 2G12 SIGLEC9, B3GAT3, B4GALT1 DAO 1564/4885CRBN 2496/4885HTT 4730/4885
US-20190117748-A1 GLYCOSYLATED OLIGONUCLEOTIDES THAT MIMIC THE HIV-1 EPITOPE OF NEUTRALIZING MONOCLONAL ANTIBODY 2G12 SIGLEC9, B3GAT3, B4GALT1 DAO 1564/4885CRBN 2496/4885HTT 4730/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR DAO 2769/4885CRBN 4234/4885HTT 1876/4885
US-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR DAO 2741/4885CRBN 4143/4885HTT 1731/4885

“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.