SCHEMBL13205010

SCHEMBL13205010

CC[C@H]1OC(n2ccc3cc([N+](=O)[O-])ccc32)C(C)[C@H]1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLS O94925 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.35
KRAS P01116 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR7 P34969 1/20 0.32

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
SCHEMBL13714345 1.00 SLC6A2 (0.38) SLC6A2CYP1A2GLSMAPTMEN1
SCHEMBL11934658 0.90 SLC29A1 (0.39) LMNASMN1; SMN2
SCHEMBL11934657 0.85 SLC29A1 (0.42) LMNASMN1; SMN2
SCHEMBL11934656 0.85 SLC29A1 (0.42) LMNASMN1; SMN2
SCHEMBL11934653 0.79 MAPT (0.35) SLC6A2MAPTMEN1KMT2AKRAS
SCHEMBL14084325 0.78 LMNA (0.49) CYP1A2LMNAALDH1A1SMN1; SMN2
SCHEMBL14534827 0.78 LMNA (0.49) CYP1A2LMNAALDH1A1SMN1; SMN2
SCHEMBL1062447 0.78 LMNA (0.49) CYP1A2LMNAALDH1A1SMN1; SMN2
SCHEMBL29446054 0.78 LMNA (0.49) CYP1A2LMNAALDH1A1SMN1; SMN2
SCHEMBL29703 0.78 LMNA (0.49) CYP1A2LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772387-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2010-08-10 US disclosed
US-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
US-20070197460-A1 RNAI INHIBITION OF INFLUENZA VIRUS REPLICATION ALNYLAM PHARMACEUTICALS, INC. (US) 2007-08-23 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-20070197460-A1 RNAI INHIBITION OF INFLUENZA VIRUS REPLICATION SNRPE, EIF2AK2, AGO2 SLC6A2 3172/4885CYP1A2 4676/4885GLS 3573/4885
US-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE NT5C3B, DERA, DUT SLC6A2 1567/4885CYP1A2 4739/4885GLS 1041/4885

“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.