SCHEMBL16624613

SCHEMBL16624613

COc1ccc(C(OCc2cccc(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
PARP15 Q460N3 1/20 0.42
GLA P06280 1/20 0.41
LTA4H P09960 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
BACE1 P56817 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL28241152 0.85 LTA4H (0.52) MAOBIDO1AGXTLTA4HRAB9A
SCHEMBL16624711 0.85 GABRA1 (0.48) MAOBLTA4HTP53PKMNFKB1
Hydrochloric Acid SCHEMBL30186367 0.84 LTA4H (0.50) MAOBIDO1AGXTLTA4HRAB9A
SCHEMBL12539335 0.84 RAB9A (0.43) MAOBLTA4HTP53PKMNFKB1
SCHEMBL2029074 0.84 MAOB (0.49) MAOBIDO1AGXTLTA4HTP53
SCHEMBL16618219 0.83 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL22540451 0.82 CYP1A2 (0.40) MAOBCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12539760 0.81 ACP1 (0.45) MAOBMEN1KMT2ALTA4HFFAR1
SCHEMBL3982356 0.81 ACP1 (0.45) MAOBMEN1KMT2ALTA4HFFAR1
SCHEMBL2034084 0.78 MIF (0.51) MAOBCYP3A4IDO1AGXTLTA4H

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-2015051366-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS 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
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 MAOB 4294/4885CYP1A2 4882/4885CYP3A4 4884/4885
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 MAOB 4294/4885CYP1A2 4882/4885CYP3A4 4884/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 MAOB 4282/4885CYP1A2 4882/4885CYP3A4 4883/4885

“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.