SCHEMBL17819079

SCHEMBL17819079

CCCCCNc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 5/20 0.56
MAPT P10636 4/20 0.48
HCAR3 P49019 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.42
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PLK1 P53350 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
SCHEMBL1421193 0.85 KAT2B (0.52) KAT2BMAPTHCAR3SMN1; SMN2MAPK1
SCHEMBL29064848 0.84 KAT2B (0.53) KAT2BMAPTSMN1; SMN2HTTLMNA
SCHEMBL29580186 0.84 KAT2B (0.53) KAT2BMAPTSMN1; SMN2HTTLMNA
SCHEMBL17819060 0.84 KAT2B (0.53) KAT2BMAPTHCAR3SMN1; SMN2MAPK1
SCHEMBL17819049 0.84 KAT2B (0.72) KAT2BMAPTHCAR3SMN1; SMN2MAPK1
SCHEMBL982086 0.83 KAT2B (0.48) KAT2BMAPTHCAR3MAPK1HTT
SCHEMBL16486930 0.83 KAT2B (0.52) KAT2BMAPTHCAR3SMN1; SMN2MAPK1
SCHEMBL9245044 0.83 KAT2B (0.52) KAT2BMAPTHCAR3SMN1; SMN2MAPK1
SCHEMBL17819071 0.83 KAT2B (0.52) KAT2BMAPTHCAR3SMN1; SMN2MAPK1
SCHEMBL16486509 0.82 KAT2B (0.49) KAT2BMAPTHCAR3SMN1; SMN2MAPK1

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-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US 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 (2 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-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 KAT2B 3645/4885MAPT 323/4885HCAR3 152/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 KAT2B 3645/4885MAPT 323/4885HCAR3 152/4885

“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.