SCHEMBL9744264

SCHEMBL9744264

Cc1c(O)cc(Br)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.58
CYP3A4 P08684 3/20 0.48
ALOX15 P16050 6/20 0.43
ALOX12 P18054 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 3/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
PRNP P04156 1/20 0.40
HTT P42858 1/20 0.40
NOD2 Q9HC29 1/20 0.40
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
ERCC1 P07992 1/20 0.37
ERCC4 Q92889 1/20 0.37
SELL P14151 1/20 0.36
SELP P16109 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
SCHEMBL6670488 0.86 ACHE (0.43) ACHECYP3A4ALOX15ALOX12TDP1
SCHEMBL11136759 0.86 CYP3A4 (0.50) ACHECYP3A4ALOX15ALOX12TDP1
SCHEMBL30885796 0.86 ACHE (0.43) ACHECYP3A4ALOX15ALOX12TDP1
SCHEMBL26831147 0.78 ERN1 (0.47) ACHECYP3A4ALOX15ALOX12NPSR1
SCHEMBL3361120 0.77 AKR1C3 (0.53) ALOX15TDP1HPGDLMNACYP1A2
SCHEMBL12957472 0.77 ERN1 (0.53) ACHECYP1A2CYP2C19ALDH1A1
SCHEMBL19126014 0.77 HPGD (0.41) ACHECYP3A4ALOX15ALOX12HPGD
SCHEMBL21883741 0.75 ACHE (0.50) ACHECYP3A4ALOX15ALOX12TDP1
SCHEMBL12189844 0.75 CYP3A4 (0.43) CYP3A4ALOX15ALOX12TDP1TSHR
SCHEMBL2919736 0.73 CYP1A2 (0.52) ALOX15ALOX12TDP1TSHRHPGD

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 20 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
EP-3722277-A2 3'END CAPS FOR RNA-INTERFERRING AGENTS FOR USE IN RNA Novartis AG (CH) 2020-10-14 EP disclosed
EP-3052464-B1 3'END CAPS FOR RNA-INTERFERRING AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2020-04-15 EP 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
EP-3052627-B1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2018-08-22 EP 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-20160244756-A1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-08-25 US disclosed
EP-3052464-A2 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE Novartis AG (CH) 2016-08-10 EP disclosed
EP-3052627-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE Novartis AG (CH) 2016-08-10 EP disclosed
EP-3052107-A2 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS Novartis AG (CH) 2016-08-10 EP disclosed
US-20160215288-A1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-07-28 US 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
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
US-5087548-A POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., INC. (JP) 1992-02-11 US disclosed
EP-0227487-A2 Positive type radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1987-07-01 EP 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 ACHE 4797/4885CYP3A4 4884/4885ALOX15 4175/4885
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 ACHE 4797/4885CYP3A4 4884/4885ALOX15 4175/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 ACHE 4784/4885CYP3A4 4883/4885ALOX15 4212/4885

“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.