SCHEMBL16624739

SCHEMBL16624739

CCOC(=O)Cc1cnc2ccccc2c1-c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HPGD P15428 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 3/20 0.46
KDM4E B2RXH2 5/20 0.45
MAPT P10636 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX5 P09917 2/20 0.41
PTGES O14684 1/20 0.41
PKM P14618 2/20 0.41

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
SCHEMBL16624699 0.88 ALDH1A1 (0.46) ALDH1A1HPGDL3MBTL1KDM4EMAPT
SCHEMBL16624697 0.86 MAPT (0.53) ALDH1A1HPGDL3MBTL1MAPK1KDM4E
SCHEMBL16624694 0.83 NR1H2 (0.52) ALDH1A1HPGDL3MBTL1KDM4EMAPT
SCHEMBL16624709 0.81 ALDH1A1 (0.39) ALDH1A1HPGDL3MBTL1KDM4EMAPT
SCHEMBL16624740 0.80 ALDH1A1 (0.49) ALDH1A1HPGDL3MBTL1MAPK1KDM4E
SCHEMBL23365635 0.80 MAOB (0.47) ALDH1A1HPGDL3MBTL1KDM4EMAPT
SCHEMBL16624738 0.79 L3MBTL1 (0.48) ALDH1A1HPGDL3MBTL1MAPK1KDM4E
SCHEMBL20101408 0.78 ALDH1A1 (0.44) ALDH1A1HPGDL3MBTL1KDM4EMAPT
SCHEMBL16624680 0.76 ALDH1A1 (0.53) ALDH1A1HPGDL3MBTL1KDM4EMAPT
SCHEMBL10729569 0.76 ALDH1A1 (0.43) ALDH1A1HPGDL3MBTL1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US disclosed
EP-3052107-B1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2018-05-02 EP disclosed
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-10-20 US disclosed
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-10-20 US disclosed
US-20160244756-A1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-08-25 US disclosed
US-20160244756-A1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-08-25 US disclosed
US-20160215288-A1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-07-28 US disclosed
US-20160215288-A1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-07-28 US disclosed
WO-2015051044-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015050871-A2 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015051135-A2 ORGANIC COMPOSITIONS TO TREAT HEPCIDIN-RELATED DISEASES NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015051045-A2 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015051366-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO 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 (1 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-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 ALDH1A1 4256/4885HPGD 4795/4885L3MBTL1 78/4885

“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.