SCHEMBL16624723

SCHEMBL16624723

O=C(Cc1cnc2ccccc2c1-c1ccccc1)ON1C(=O)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
TACR1 P25103 2/20 0.39
PADI4 Q9UM07 1/20 0.38
CASP3 P42574 2/20 0.38
PSMB8 P28062 1/20 0.38
PSMB5 P28074 1/20 0.38
TP53 P04637 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL20101473 0.87 ALDH1A1 (0.44) ALDH1A1HTTHPGDCYP1A2CYP3A4
SCHEMBL16624627 0.78 SMN1; SMN2 (0.55) ALDH1A1HTTHPGDCYP1A2CYP3A4
SCHEMBL16624812 0.78 SMN1; SMN2 (0.64) ALDH1A1HTTHPGDCYP1A2CYP3A4
SCHEMBL21610292 0.78 ALDH1A1 (0.49) ALDH1A1HTTHPGDCYP1A2CYP3A4
SCHEMBL16624654 0.77 TDP1 (0.39) HPGDCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL19658180 0.73 KMT2A (0.41) ALDH1A1HPGDSMN1; SMN2MAPTPSMB8
SCHEMBL2722407 0.71 SMN1; SMN2 (0.50) ALDH1A1HTTHPGDCYP1A2CYP3A4
SCHEMBL4738882 0.70 LMNA (0.51) ALDH1A1HTTHPGDSMN1; SMN2MAPT
SCHEMBL2450503 0.69 KMT2A (0.57) ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL2720297 0.69 ALDH1A1 (0.45) ALDH1A1HTTHPGDCYP1A2CYP3A4

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 ALDH1A1 4223/4885HTT 2524/4885HPGD 4793/4885
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 ALDH1A1 4223/4885HTT 2524/4885HPGD 4793/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 ALDH1A1 4256/4885HTT 2540/4885HPGD 4795/4885

“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.