SCHEMBL17819083

SCHEMBL17819083

CCCCCNc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 5/20 0.72
▸ HCAR3 P49019 2/20 0.56
▸ MAPT P10636 4/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ POLB P06746 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ CYP3A4 P08684 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ACHE P22303 1/20 0.47

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
SCHEMBL3636228 0.89 KAT2B (0.69) KAT2BHCAR3MAPTALDH1A1TDP1
SCHEMBL14906561 0.88 KAT2B (0.74) KAT2BHCAR3MAPTALDH1A1TDP1
SCHEMBL16151564 0.87 KAT2B (0.72) KAT2BHCAR3MAPTALDH1A1TDP1
SCHEMBL14981759 0.85 KAT2B (0.97) KAT2BMAPTPKMCYP3A4TSHR
SCHEMBL8976381 0.85 KAT2B (0.57) KAT2BHCAR3MAPTALDH1A1TDP1
Hydrochloric Acid SCHEMBL513348 0.84 KAT2B (1.00) KAT2BMAPTPOLBPKMCYP3A4
Bromide SCHEMBL8619139 0.84 KAT2B (0.56) KAT2BHCAR3MAPTALDH1A1TDP1
SCHEMBL8313477 0.83 KAT2B (0.69) KAT2BMAPTALDH1A1TDP1L3MBTL1
SCHEMBL7767318 0.83 MAPT (0.62) KAT2BHCAR3MAPTALDH1A1TDP1
SCHEMBL981242 0.83 KAT2B (0.64) KAT2BHCAR3MAPTALDH1A1L3MBTL1

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 3645/4885HCAR3 152/4885MAPT 323/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 KAT2B 3645/4885HCAR3 152/4885MAPT 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.

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