SCHEMBL17819093

SCHEMBL17819093

CCCCCNc1ccncc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.55
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
POLB P06746 2/20 0.50
PKM P14618 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
KDM6B O15054 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
KAT2B Q92831 4/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL15923402 0.99 HCAR3 (0.54) HCAR3ALDH1A1MAPTPOLBPKM
Hexadecane SCHEMBL15923401 0.97 HCAR3 (0.53) HCAR3ALDH1A1MAPTPOLBPKM
SCHEMBL14031480 0.96 MAPT (0.54) HCAR3ALDH1A1MAPTPOLBPKM
Hexadecylamine SCHEMBL15923400 0.92 KAT2B (0.51) HCAR3ALDH1A1MAPTPOLBPKM
SCHEMBL15924089 0.91 HCAR3 (0.51) HCAR3ALDH1A1MAPTPOLBPKM
SCHEMBL3050461 0.90 ALDH1A1 (0.54) HCAR3ALDH1A1MAPTPOLBPKM
SCHEMBL15923083 0.89 KMT2A (0.49) HCAR3ALDH1A1MAPTPOLBPKM
SCHEMBL8597587 0.89 HCAR3 (0.52) HCAR3ALDH1A1MAPTPOLBPKM
SCHEMBL10388580 0.86 KAT2B (0.58) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL10388574 0.86 GSTM2 (0.54) HCAR3ALDH1A1MAPTHTTGAA

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 HCAR3 152/4885ALDH1A1 1952/4885MAPT 323/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 HCAR3 152/4885ALDH1A1 1952/4885MAPT 323/4885

“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.