SCHEMBL5218152

SCHEMBL5218152

COc1ccc(C(OC(C(=O)c2ccccc2)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O[C@@H]3CCCC[C@H]3OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 3/20 0.41
TRDMT1 O14717 1/20 0.41
TYMP P19971 1/20 0.40
CARM1 Q86X55 2/20 0.40
NNMT P40261 1/20 0.39
CHKA P35790 1/20 0.39
AHCY P23526 4/20 0.39
P2RX3 P56373 1/20 0.38
P2RX4 Q99571 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL10690523 0.91 ADORA3 (0.50) ADORA3ADORA1TRDMT1TYMPCARM1
SCHEMBL14244154 0.86 ADORA1 (0.45) ADORA3ADORA1TRDMT1TYMPCARM1
SCHEMBL6835045 0.86 ADORA1 (0.45) ADORA3ADORA1TRDMT1TYMPCARM1
SCHEMBL17599855 0.85 NT5E (0.49) ADORA3ADORA1TRDMT1TYMPCARM1
SCHEMBL7266107 0.82 ADORA1 (0.47) ADORA1TRDMT1TYMPCARM1NNMT
SCHEMBL5506246 0.81 TYMP (0.41) ADORA3ADORA1TRDMT1TYMPCARM1
SCHEMBL17599879 0.81 ADORA3 (0.48) ADORA3ADORA1TRDMT1TYMPCARM1
SCHEMBL8144935 0.81 ADORA1 (0.45) ADORA3ADORA1TRDMT1TYMPCARM1
SCHEMBL5348155 0.80 CHKA (0.42) ADORA1TRDMT1TYMPCARM1NNMT
SCHEMBL2107506 0.80 ADORA1 (0.53) ADORA3ADORA1TRDMT1TYMPCARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070292875-A1 Human RNase H1 oligonucleotide compositions thereof ISIS PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070123702-A1 Oligonucleotdies having A-DNA form and B-DNA form conformational geometry MANOHARAN MUTHIAH 2007-05-31 US disclosed
EP-1743901-A2 Oligonucleotides having A-DNA or B-DNA form ISIS PHARMACEUTICALS, INC. (US) 2007-01-17 EP disclosed
US-7119184-B2 Oligonucleotides having A-DNA form and B-DNA form conformational geometry ISIS PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
EP-1222309-B1 HUMAN RNASE H AND OLIGONUCLEOTIDE COMPOSITIONS THEREOF ISIS PHARMACEUTICALS INC (US) 2005-12-07 EP disclosed
EP-1100809-B1 RNA TARGETED 2'-MODIFIED OLIGONUCLEOTIDES THAT ARE CONFORMATIONALLY PREORGANIZED ISIS PHARMACEUTICALS INC (US) 2004-09-22 EP disclosed
US-20040102618-A1 Human RNase H1 and oligonucleotide compositions thereof ISIS PHARMACEUTICALS, INC. 2004-05-27 US disclosed
US-6737520-B2 FOR USE AS SUBSTRATE FOR RIBONUCLEASE AND CONTROLLING BINDING AFFINITY/NUCLEASE RESISTANCE ISIS PHARMACEUTICALS, INC. 2004-05-18 US disclosed
US-6617442-B1 Divided into two portions, one of which supports cleavage of target RNA; use in enhancing antisense therapies ISIS PHARMACEUTICALS, INC. 2003-09-09 US disclosed
US-20030105311-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry ISIS PHARMACEUTICALS, INC. 2003-06-05 US disclosed
US-20030096979-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry ISIS PHARMACEUTICALS, INC. 2003-05-22 US disclosed
US-6369209-B1 AFFINITY AND NUCLEASE RESISTANCE WHILE CONCURRENTLY SERVING AS SUBSTRATES FOR RNASE H WHEN BOUND TO A TARGET RNA STRAND ISIS PHARMACEUTICALS, INC. 2002-04-09 US disclosed
US-6271358-B1 FOR INHIBITING SPECIFIC GENE EXPRESSION; HAVING ENHANCED HYBRID BINDING AFFINITY AND/OR INCREASED NUCLEASE RESISTANCE ISIS PHARMACEUTICALS, INC. 2001-08-07 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 (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-20030105311-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry RNGTT, RNASEH1, ADAR ADORA3 159/4885ADORA1 268/4885TRDMT1 137/4885
US-20070292875-A1 Human RNase H1 oligonucleotide compositions thereof RNASEH1, RNASE1, RNASEL ADORA3 1318/4885ADORA1 1753/4885TRDMT1 81/4885
US-20030096979-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry RNGTT, RNASEH1, ADAR ADORA3 159/4885ADORA1 268/4885TRDMT1 137/4885
US-20040102618-A1 Human RNase H1 and oligonucleotide compositions thereof RNASEH1, RNASE1, RNASEL ADORA3 1033/4885ADORA1 1431/4885TRDMT1 90/4885
US-20070123702-A1 Oligonucleotdies having A-DNA form and B-DNA form conformational geometry RNASEH1, RNGTT, ADAR ADORA3 171/4885ADORA1 275/4885TRDMT1 90/4885

“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.