SCHEMBL16624737

SCHEMBL16624737

O=C(O)Cc1c(O)nc2ccccc2c1-c1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
AURKA O14965 3/20 0.40
AURKB Q96GD4 2/20 0.40
KDR P35968 1/20 0.40
HPGD P15428 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACACA Q13085 2/20 0.39
GRM2 Q14416 1/20 0.39
MAPT P10636 2/20 0.39
PRNP P04156 1/20 0.38
PPARG P37231 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL16627094 0.89 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AMEN1KDM4EPOLB
SCHEMBL16624740 0.85 ALDH1A1 (0.49) SMN1; SMN2KMT2AMEN1KDM4EPOLB
SCHEMBL16624714 0.82 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMEN1KDM4ELMNA
SCHEMBL16627093 0.82 MEN1 (0.43) SMN1; SMN2KMT2AMEN1KDM4ELMNA
SCHEMBL29488289 0.76 ESR1 (0.56) SMN1; SMN2KMT2AMEN1POLBLMNA
SCHEMBL602028 0.76 ESR1 (0.56) SMN1; SMN2KMT2AMEN1POLBLMNA
SCHEMBL11775553 0.73 KDM4E (0.51) SMN1; SMN2KMT2AMEN1KDM4EPOLB
SCHEMBL20216022 0.73 CYP1A2 (0.48) SMN1; SMN2KMT2AMEN1KDM4EPOLB
SCHEMBL16624738 0.73 L3MBTL1 (0.48) SMN1; SMN2KMT2AMEN1KDM4EPOLB
SCHEMBL16624734 0.72 KDM4E (0.54) SMN1; SMN2KMT2AMEN1KDM4ELMNA

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-2015051135-A2 ORGANIC COMPOSITIONS TO TREAT HEPCIDIN-RELATED DISEASES 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-2015051366-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE 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-2015051044-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 SMN1; SMN2 2042/4885KMT2A 2510/4885MEN1 3557/4885

“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.