SCHEMBL7045863

SCHEMBL7045863

O=[C]NC(=O)C[n+]1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.47
ACHE P22303 2/20 0.45
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 3/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 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
SCHEMBL16674109 0.74 HSP90AA1 (0.59) HSP90AA1ACHEKMT2AL3MBTL1ALDH1A1
SCHEMBL8120184 0.74 KMT2A (0.50) HSP90AA1ACHEKMT2AL3MBTL1ALDH1A1
SCHEMBL297246 0.74 HSP90AA1 (0.50) HSP90AA1ACHEKMT2AL3MBTL1ALDH1A1
SCHEMBL7048071 0.74 HSP90AA1 (0.50) HSP90AA1ACHEKMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL5847774 0.72 HSP90AA1 (0.53) HSP90AA1ACHEKMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL713375 0.72 HSP90AA1 (0.53) HSP90AA1ACHEKMT2AL3MBTL1ALDH1A1
SCHEMBL5327423 0.71 LMNA (0.53) HSP90AA1ACHEKMT2AL3MBTL1ALDH1A1
SCHEMBL8599037 0.69 KMT2A (0.46) HSP90AA1ACHEKMT2AL3MBTL1ALDH1A1
SCHEMBL8432632 0.69 HSP90AA1 (0.54) HSP90AA1ACHEKMT2AL3MBTL1ALDH1A1
SCHEMBL13965280 0.69 KMT2A (0.55) HSP90AA1ACHEKMT2AL3MBTL1ALDH1A1

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-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 US claimed
US-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 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 (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-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds ACIN1, DNA2, KPNA1 HSP90AA1 2228/4885ACHE 3588/4885KMT2A 2995/4885

“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.