SCHEMBL5576828

SCHEMBL5576828

CC(C)C(=O)Nc1nc2c(ncn2[C@@]2([SiH](c3ccccc3)c3ccccc3)C[C@H](OC(C)(C)C)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TK1 P04183 1/20 0.32
POLA1 P09884 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
PAX3 P23760 1/20 0.31
FOXO1 Q12778 1/20 0.31
NOS1 P29475 1/20 0.30

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
SCHEMBL25387611 0.76 KDM4E (0.41) KDM4ETAS1R3TAS1R1TK1POLA1
SCHEMBL6397988 0.75 KDM4E (0.46) KDM4ETAS1R3TAS1R1POLA1MEN1
SCHEMBL7211289 0.75 KDM4E (0.43) KDM4ETAS1R3TAS1R1TK1POLA1
SCHEMBL7064863 0.75 KDM4E (0.39) KDM4ETAS1R3TAS1R1TK1MEN1
SCHEMBL8896757 0.74 KDM4E (0.47) KDM4ETAS1R3TAS1R1TK1POLA1
SCHEMBL9548623 0.74 ADORA3 (0.40) TK1MEN1TSHRKMT2A
SCHEMBL11051437 0.73 KDM4E (0.45) KDM4ETAS1R3TAS1R1TK1POLA1
SCHEMBL5223432 0.72 RNASE1 (0.41) TK1
SCHEMBL27930721 0.72 KDM4E (0.45) KDM4ETAS1R3TAS1R1TK1POLA1
SCHEMBL1612199 0.72 KDM4E (0.43) KDM4ETAS1R3TAS1R1MEN1TSHR

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 11 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
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-6811975-B2 MIMIC OR MODULATE ACTIVITY OF WILD-TYPE NUCLEIC ACIDS THEREBY AFFECTING PROTEIN PRODUCTION OR ACTIVITY ISIS PHARMACEUTICALS, INC. 2004-11-02 US 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-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-20010027251-A1 Phosphorothioate oligonucleotides having modified internucleoside linkages ISIS PHARMACEUTICALS, INC. 2001-10-04 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 (6 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 KDM4E 3583/4885TAS1R3 3873/4885TAS1R1 4114/4885
US-20070292875-A1 Human RNase H1 oligonucleotide compositions thereof RNASEH1, RNASE1, RNASEL KDM4E 4340/4885TAS1R3 4452/4885TAS1R1 4469/4885
US-20030096979-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry RNGTT, RNASEH1, ADAR KDM4E 3583/4885TAS1R3 3873/4885TAS1R1 4114/4885
US-20040102618-A1 Human RNase H1 and oligonucleotide compositions thereof RNASEH1, RNASE1, RNASEL KDM4E 4275/4885TAS1R3 4453/4885TAS1R1 4454/4885
US-20070123702-A1 Oligonucleotdies having A-DNA form and B-DNA form conformational geometry RNASEH1, RNGTT, ADAR KDM4E 2494/4885TAS1R3 4377/4885TAS1R1 4530/4885
US-20010027251-A1 Phosphorothioate oligonucleotides having modified internucleoside linkages TYMP, DTYMK, RNGTT KDM4E 4113/4885TAS1R3 3455/4885TAS1R1 4007/4885

“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.