SCHEMBL14906561

SCHEMBL14906561

CCCCCNc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 4/20 0.74
▸ HCAR3 P49019 3/20 0.67
▸ MAPT P10636 7/20 0.61
▸ PKM P14618 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ LMNA P02545 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ KMT2A Q03164 1/20 0.53
▸ PRSS1 P07477 3/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ CRHBP P24387 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ THRB P10828 1/20 0.50

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
SCHEMBL16151564 0.99 KAT2B (0.72) KAT2BHCAR3MAPTPKMPOLB
SCHEMBL16378801 0.90 KAT2B (0.69) KAT2BHCAR3MAPTPKMPOLB
SCHEMBL10249409 0.89 KAT2B (0.71) KAT2BHCAR3MAPTPKMPOLB
SCHEMBL17819083 0.88 KAT2B (0.72) KAT2BHCAR3MAPTPKMPOLB
SCHEMBL4863416 0.87 KAT2B (0.72) KAT2BHCAR3MAPTPOLBALDH1A1
SCHEMBL29580274 0.85 KAT2B (0.74) KAT2BHCAR3MAPTPKMPOLB
SCHEMBL10113238 0.85 KAT2B (1.00) KAT2BMAPTPKMPOLBALDH1A1
SCHEMBL29306545 0.85 HCAR3 (0.67) KAT2BHCAR3MAPTPKMPOLB
SCHEMBL4858189 0.85 KAT2B (0.74) KAT2BHCAR3MAPTPKMPOLB
SCHEMBL29416813 0.85 KAT2B (1.00) KAT2BMAPTPKMPOLBALDH1A1

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-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
WO-2013059984-A1 DERIVATIVE OF METHACRYLOYL-BENZIMIDAZOL-ONE (THIONE) AND USE THEREOF AS ANTI-MICROBIAL DRUG 西北农林科技大学 (CN) 2013-05-02 — — 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 (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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