SCHEMBL12896239

SCHEMBL12896239

CC(C)n1ccc2c([N+](=O)[O-])cccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR35 Q9HC97 1/20 0.39
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSP90AA1 P07900 1/20 0.37
NOS1 P29475 1/20 0.37

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
SCHEMBL17422039 0.84 TDP1 (0.48) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL30349956 0.81 GAA (0.66) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL16378928 0.81 GAA (0.44) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL2475315 0.78 GAA (0.66) GAATDP1ALDH1A1TSHRMAPT
SCHEMBL28294148 0.75 TDP1 (0.53) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL11223006 0.75 TDP1 (0.53) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL28296005 0.75 TDP1 (0.53) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL28256635 0.75 TDP1 (0.53) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL3690450 0.74 GAA (0.49) GAATDP1ALDH1A1MEN1KMT2A
SCHEMBL6626162 0.74 GAA (0.49) GAATDP1ALDH1A1TSHRMAPT

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-9416155-B2 Direct sensing of molecular species by polyfluors on a DNA backbone THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-08-16 US disclosed
US-20120309107-A1 Direct Sensing of Molecular Species by Polyfluors on a DNA Backbone THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2012-12-06 US disclosed
US-7893224-B2 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-7893224-B2 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-7772387-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2010-08-10 US disclosed
US-20090312531-A1 OLIGNUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-12-17 US disclosed
US-20090312531-A1 OLIGNUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-12-17 US disclosed
US-7632932-B2 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2009-12-15 US disclosed
US-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
US-7579451-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2007-03-08 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 (4 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-20120309107-A1 Direct Sensing of Molecular Species by Polyfluors on a DNA Backbone ERCC4, POLL, POLQ GAA 2462/4885TDP1 175/4885ALDH1A1 3769/4885
US-20090312531-A1 OLIGNUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE DUT, NOP58, DPYD GAA 3434/4885TDP1 1895/4885ALDH1A1 1280/4885
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase DERA, NT5C3B, DUT GAA 2817/4885TDP1 1435/4885ALDH1A1 2096/4885
US-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE NT5C3B, DERA, DUT GAA 1816/4885TDP1 672/4885ALDH1A1 1623/4885

“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.