SCHEMBL16631664

SCHEMBL16631664

CCCCOc1cnc([N+](=O)[O-])c(F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
S1PR4 O95977 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL18080637 0.74 PIN1 (0.47) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL16631695 0.73 GABRP (0.33) NPC1RAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL16631653 0.73 NPC1 (0.41) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3333575 0.68 MAPT (0.58) NPC1RAB9AMAPTL3MBTL1MEN1
SCHEMBL16631651 0.66 CYP2D6 (0.37) NPC1RAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL4263969 0.66 CYP2D6 (0.42) NPC1RAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL10292640 0.65 S1PR4 (0.56) NPC1RAB9AMAPTS1PR4SMN1; SMN2
SCHEMBL8596671 0.64 SMN1; SMN2 (0.41) NPC1RAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL16631587 0.64 CYP1A2 (0.36) NPC1RAB9AMAPTL3MBTL1MEN1
SCHEMBL29289254 0.63 GRIN2D (0.51) NPC1RAB9AMAPTGRIN2DGRIN3B

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 NPC1 1636/4885RAB9A 3376/4885MAPT 3290/4885

“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.