SCHEMBL16631730

SCHEMBL16631730

COC(=O)c1nc(F)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 2/20 0.45
HSD17B10 Q99714 3/20 0.44
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CTSA P10619 1/20 0.37
HPGD P15428 2/20 0.37
PKM P14618 1/20 0.37
STAT3 P40763 1/20 0.37
HIF1A Q16665 1/20 0.37
NOTUM Q6P988 1/20 0.36
MAPT P10636 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
SCHEMBL15093907 0.83 NPSR1 (0.50) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL2372967 0.81 NPSR1 (0.52) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL28043843 0.80 NPSR1 (0.47) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL25361003 0.80 NPSR1 (0.47) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL14858136 0.80 NPSR1 (0.47) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL29549957 0.79 NPSR1 (0.50) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL23554846 0.79 NPSR1 (0.50) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL16395394 0.79 TUBB4A (0.46) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL16631725 0.79 CTSA (0.40) KDM4EALDH1A1SMN1; SMN2HSD17B10L3MBTL1
SCHEMBL1428189 0.78 NPSR1 (0.48) NPSR1KDM4EALDH1A1SMN1; SMN2RAB9A

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 3 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
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 NPSR1 735/4885KDM4E 4689/4885ALDH1A1 4189/4885

“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.