SCHEMBL5501797

SCHEMBL5501797

COc1ccc(C(OC(C(=O)c2ccccc2)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](OCC[N+]3([O-])C(=O)c4ccccc4C3=O)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.33
P2RX3 P56373 1/20 0.33
P2RX4 Q99571 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
TRDMT1 O14717 1/20 0.33
NNMT P40261 2/20 0.33
TYMP P19971 1/20 0.33
DOT1L Q8TEK3 2/20 0.32
ADORA1 P30542 2/20 0.32
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31

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
SCHEMBL6895651 0.89 AHCY (0.35) CARM1P2RX3P2RX4P2RX2TRDMT1
SCHEMBL6898692 0.89 AHCY (0.35) CARM1TRDMT1NNMTDOT1L
SCHEMBL7914645 0.88 TRDMT1 (0.37) CARM1P2RX3P2RX4P2RX2TRDMT1
SCHEMBL5506246 0.85 TYMP (0.41) CARM1P2RX3P2RX4P2RX2TRDMT1
SCHEMBL2109084 0.85 TRDMT1 (0.36) CARM1TRDMT1NNMTTYMPDOT1L
SCHEMBL15879332 0.84 TRDMT1 (0.36) CARM1TRDMT1NNMTTYMPDOT1L
SCHEMBL7050370 0.84 NNMT (0.34) CARM1P2RX3P2RX4P2RX2TRDMT1
SCHEMBL7922845 0.83 CARM1 (0.33) CARM1P2RX3P2RX4P2RX2TRDMT1
SCHEMBL7920985 0.83 P2RX3 (0.33) CARM1P2RX3P2RX4P2RX2TRDMT1
SCHEMBL4557136 0.83 NNMT (0.34) CARM1P2RX3P2RX4P2RX2TRDMT1

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
EP-0977767-B1 AMINOOXY-MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2007-09-19 EP disclosed
US-6849723-B2 Oligonucleotide analogs having modified dimers ISIS PHARMACEUTICALS, INC. (US) 2005-02-01 US disclosed
US-20030181693-A1 Oligonucleotide analogs having modified dimers COOK PHILLIP DAN (US) 2003-09-25 US disclosed
US-20030088079-A1 AMINOOXY-MODIFIED NUCLEOSIDIC COMPOUNDS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM IONIS PHARMACEUTICALS, INC. 2003-05-08 US disclosed
EP-1102783-A4 AMINOOXY-MODIFIED NUCLEOSIDIC COMPOUNDS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM ISIS PHARMACEUTICALS INC (US) 2002-07-31 EP disclosed
US-6420549-B1 NUCLEOTIDE SEQUENCES FOR USE AS TOOLS IN GENETIC ENGINEERING AND CONTROLLING TRANSLATION ISIS PHARMACEUTICALS, INC. 2002-07-16 US disclosed
EP-1102783-A1 AMINOOXY-MODIFIED NUCLEOSIDIC COMPOUNDS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 2001-05-30 EP disclosed
US-6172209-B1 MOLECULAR HYBRIDIZATION, GENETIC ENGINEERING; NUCLEASE RESISTANCE ISIS PHARMACEUTICALS INC. 2001-01-09 US disclosed
WO-2000008214-A1 OLIGONUCLEOTIDE ANALOGS HAVING MODIFIED DIMERS ISIS PHARMACEUTICALS, INC. (US) 2000-02-17 WO disclosed
WO-2000008042-A1 AMINOOXY-MODIFIED NUCLEOSIDIC COMPOUNDS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 2000-02-17 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-20030181693-A1 Oligonucleotide analogs having modified dimers RNASEL, ADAR, RNGTT CARM1 2608/4885P2RX3 3109/4885P2RX4 3178/4885
US-20030088079-A1 AMINOOXY-MODIFIED NUCLEOSIDIC COMPOUNDS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM HNRNPM, RNASEH1, HNRNPF CARM1 939/4885P2RX3 3229/4885P2RX4 3561/4885

“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.