SCHEMBL16631721

SCHEMBL16631721

CCCCOc1ncc(Br)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.42
EDNRA P25101 7/20 0.42
CYP2D6 P10635 5/20 0.37
CYP3A4 P08684 4/20 0.37
SLC6A2 P23975 1/20 0.37
TSPO P30536 1/20 0.37
DRD3 P35462 1/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CNR2 P34972 1/20 0.37
ACACB O00763 1/20 0.36
CYP19A1 P11511 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LTA4H P09960 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL6956399 0.92 EDNRB (0.41) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL19582886 0.89 EDNRA (0.39) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL15427262 0.80 CYP2D6 (0.39) CYP2D6CYP3A4RAB9ANPC1SMN1; SMN2
SCHEMBL738509 0.79 GBA1 (0.38) EDNRBEDNRARAB9ASMN1; SMN2KDM4E
SCHEMBL16416281 0.78 EDNRA (0.38) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL13827717 0.78 NPC1 (0.58) CYP2D6CYP3A4RAB9ANPC1SMN1; SMN2
SCHEMBL285472 0.78 HRH3 (0.45) CYP2D6SMN1; SMN2KDM4ECYP2C19CYP1A2
SCHEMBL17003485 0.76 EDNRA (0.37) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL17003487 0.76 EDNRA (0.37) EDNRBEDNRASLC6A2TSPODRD3
SCHEMBL24042179 0.75 CHRNB2 (0.43) EDNRBEDNRASLC6A2TSPODRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 EDNRB 1522/4885EDNRA 1751/4885CYP2D6 4668/4885

“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.