SCHEMBL10072470

SCHEMBL10072470

[2H]C(C)[C@@]12CO[C@@H]([C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O1)[C@@H]2O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
P2RY6 Q15077 2/20 0.49
P2RY14 Q15391 2/20 0.49
NT5E P21589 1/20 0.49
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL12408886 1.00 ABL1 (0.51) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL13722092 0.93 ABL1 (0.52) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL10072462 0.92 ABL1 (0.50) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL6861475 0.90 ABL1 (0.56) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL12408867 0.86 ABL1 (0.47) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL12345959 0.83 ABL1 (0.52) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL4773710 0.82 ABL1 (0.54) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL13722163 0.81 ABL1 (0.51) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL2719659 0.81 ABL1 (0.50) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL25629925 0.81 ABL1 (0.52) ABL1RIN1P2RY6P2RY14NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130041144-A1 5'-SUBSTITUTED BICYCLIC NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 2013-02-14 US disclosed
US-8268980-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20120010393-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
US-8030467-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2011-10-04 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 (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-20130041144-A1 5'-SUBSTITUTED BICYCLIC NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM RNMT, HNRNPM, NOP2 ABL1 4688/4885RIN1 1200/4885P2RY6 2768/4885
US-20120010393-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR ABL1 4852/4885RIN1 2604/4885P2RY6 3224/4885

“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.