SCHEMBL16624688

SCHEMBL16624688

COc1ccc2ncc(CC(=O)O)c(-c3ccccc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
HTT P42858 1/20 0.50
PLA2G2A P14555 1/20 0.49
MTNR1B P49286 3/20 0.48
MTNR1A P48039 2/20 0.48
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.46
PLA2G10 O15496 1/20 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
SCHEMBL17954338 0.92 ALDH1A1 (0.49) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL16624680 0.88 ALDH1A1 (0.53) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL27971255 0.84 KDM4E (0.48) ALDH1A1HPGDHTTKDM4EMAPT
SCHEMBL17954339 0.83 MTNR1A (0.49) ALDH1A1HPGDMTNR1BMTNR1AKDM4E
SCHEMBL8784296 0.81 KDM4E (0.60) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16624627 0.80 SMN1; SMN2 (0.55) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL16624734 0.78 KDM4E (0.54) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL20101355 0.78 MTNR1A (0.44) ALDH1A1HPGDMTNR1BMTNR1AKDM4E
SCHEMBL20474256 0.78 KDM4E (0.53) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL18027830 0.76 NPC1 (0.48) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6

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-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
WO-2015050871-A2 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS 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 4223/4885HPGD 4793/4885CYP1A2 4882/4885
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 ALDH1A1 4223/4885HPGD 4793/4885CYP1A2 4882/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 ALDH1A1 4256/4885HPGD 4795/4885CYP1A2 4882/4885

“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.