SCHEMBL16631778

SCHEMBL16631778

CCCCOc1nccc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.47
SCN9A Q15858 1/20 0.47
MAPK8 P45983 2/20 0.44
TLR8 Q9NR97 2/20 0.44
ALOX5AP P20292 3/20 0.42
FEN1 P39748 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL17767985 0.91 MCHR1 (0.46) MCHR1SCN9AMAPK8TLR8ALOX5AP
SCHEMBL30278077 0.84 SCN9A (0.42) MCHR1SCN9AALOX5APFEN1HTT
SCHEMBL11076895 0.82 SCN9A (0.47) SCN9AMAPK8ALOX5APFEN1NPC1
SCHEMBL16785556 0.82 MCHR1 (0.44) MCHR1SCN9AMAPK8TLR8ALOX5AP
SCHEMBL17767964 0.81 NUDT1 (0.44) SCN9AMAPK8ALOX5APFEN1
SCHEMBL14880376 0.81 SCN9A (0.44) SCN9AALOX5APFEN1
SCHEMBL20012069 0.81 SCN9A (0.44) SCN9AALOX5APFEN1KDM4EMEN1
SCHEMBL14374 0.81 SCN9A (0.44) SCN9AALOX5APFEN1
SCHEMBL16265343 0.79 SCN9A (0.45) SCN9AALOX5APFEN1
SCHEMBL4266406 0.79 MAPK8 (0.45) MAPK8TLR8CYP1A2CYP2C9CYP2C19

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 MCHR1 4072/4885SCN9A 2478/4885MAPK8 2288/4885

“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.