SCHEMBL16624714

SCHEMBL16624714

COc1cccc(-c2c(CC(=O)O)c(O)nc3ccccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 5/20 0.48
CYP2C9 P11712 4/20 0.48
ALDH1A1 P00352 4/20 0.48
CYP2B6 P20813 2/20 0.48
AHR P35869 2/20 0.48
NR1I3 Q14994 2/20 0.48
HPGD P15428 2/20 0.48
F2 P00734 1/20 0.48
VDR P11473 1/20 0.48
ADORA2A P29274 1/20 0.47
CYP2D6 P10635 4/20 0.47
CYP2C19 P33261 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 3/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL20216022 0.91 CYP1A2 (0.48) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL16627091 0.89 CYP1A2 (0.49) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL16624692 0.88 KMT2A (0.47) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL20216025 0.86 ALDH1A1 (0.45) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL16624734 0.86 KDM4E (0.54) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL16627090 0.84 CYP1A2 (0.45) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL16624737 0.82 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL29587463 0.78 CYP1A2 (0.64) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL601233 0.78 CYP1A2 (0.64) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL16624695 0.76 PDE4B (0.48) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2021-05-18 US disclosed
US-10519446-B2 Organic compounds to treat hepatitis B virus NOVARTIS AG (CH) 2019-12-31 US disclosed
US-10227588-B2 3′end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2019-03-12 US disclosed
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US disclosed
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-2015050871-A2 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-10227588-B2 3′end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 SMN1; SMN2 2037/4885KMT2A 2438/4885MEN1 3606/4885
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 SMN1; SMN2 2037/4885KMT2A 2438/4885MEN1 3606/4885
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.