SCHEMBL16624712

SCHEMBL16624712

COC(=O)c1cccc(COc2ccc(Br)c(COc3cccc(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.49
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMPD1 P17405 2/20 0.45
MAOB P27338 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL16624707 0.95 MRGPRX4 (0.44) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL18027826 0.89 MRGPRX4 (0.49) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL16624803 0.80 MRGPRX4 (0.47) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL16624718 0.78 MRGPRX4 (0.61) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL16624715 0.77 ROCK2 (0.46) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL18165313 0.75 SMPD1 (0.43) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL1122805 0.74 MRGPRX4 (0.71) MRGPRX4LMNASMPD1MAOB
SCHEMBL7529555 0.73 HTR1A (0.42) RAB9ANPC1MAOB
SCHEMBL1756395 0.72 MRGPRX4 (0.70) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL16631068 0.72 MAOB (0.47) MRGPRX4RAB9ASMN1; SMN2TP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-2015050871-A2 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS 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 (1 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-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 MRGPRX4 3832/4885RAB9A 1186/4885SMN1; SMN2 2042/4885

“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.