SCHEMBL5253091

SCHEMBL5253091

O=C(c1ccccc1)N(C(=O)c1ccccc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(OCCCNC(=O)C(F)(F)F)C1O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.58
▸ ADORA1 P30542 5/20 0.47
▸ ADORA2A P29274 3/20 0.47
▸ ADORA2B P29275 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ NPEPPS P55786 6/20 0.46
▸ ANPEP P15144 6/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5249494 0.83 ADORA3 (0.58) ADORA1ADORA2AADORA2BADORA3SMN1; SMN2
SCHEMBL5249503 0.83 ADORA3 (0.58) ADORA1ADORA2AADORA2BADORA3SMN1; SMN2
SCHEMBL31160186 0.83 LMNA (0.66) LMNAADORA2AADORA2BNPEPPSANPEP
SCHEMBL31160178 0.80 LMNA (0.79) LMNAADORA2AADORA2BNPEPPSANPEP
SCHEMBL29672354 0.77 LMNA (0.64) LMNAADORA2AADORA2BNPEPPSANPEP
SCHEMBL17677178 0.77 LMNA (0.64) LMNAADORA2AADORA2BNPEPPSANPEP
SCHEMBL29672348 0.77 LMNA (0.64) LMNAADORA2AADORA2BNPEPPSANPEP
SCHEMBL20482906 0.77 LMNA (0.64) LMNAADORA2AADORA2BADORA3NPEPPS
SCHEMBL5981813 0.77 ADORA1 (0.61) ADORA1ADORA2AADORA2BADORA3ALDH1A1
SCHEMBL5981804 0.77 ADORA1 (0.61) ADORA1ADORA2AADORA2BADORA3ALDH1A1

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 12 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
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-6653458-B1 Phosphodiester or phosphorothioate internucleotide linkages at 2',5' positions; substituents at 3'; nuclease resistance and increased binding affinity; use as antisense agents ISIS PHARMACEUTICALS, INC. 2003-11-25 — — 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

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 LMNA 369/4885ADORA1 268/4885ADORA2A 173/4885
US-20070292875-A1 Human RNase H1 oligonucleotide compositions thereof RNASEH1, RNASE1, RNASEL LMNA 1515/4885ADORA1 1753/4885ADORA2A 1458/4885
US-20030096979-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry RNGTT, RNASEH1, ADAR LMNA 369/4885ADORA1 268/4885ADORA2A 173/4885
US-20040102618-A1 Human RNase H1 and oligonucleotide compositions thereof RNASEH1, RNASE1, RNASEL LMNA 1083/4885ADORA1 1431/4885ADORA2A 1219/4885
US-20070123702-A1 Oligonucleotdies having A-DNA form and B-DNA form conformational geometry RNASEH1, RNGTT, ADAR LMNA 387/4885ADORA1 275/4885ADORA2A 186/4885

“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.

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