SCHEMBL2218481

SCHEMBL2218481

O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(NCc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.57
ACHE P22303 3/20 0.57
BACE1 P56817 3/20 0.57
DRD4 P21917 1/20 0.55
HTT P42858 3/20 0.51
GRIN2B Q13224 1/20 0.49
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TACR1 P25103 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CXCR4 P61073 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.44
SIGMAR1 Q99720 2/20 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
SCHEMBL2218474 1.00 BCHE (0.57) BCHEACHEBACE1DRD4HTT
SCHEMBL13539387 0.93 BCHE (0.53) BCHEACHEBACE1DRD4HTT
SCHEMBL2214364 0.89 BCHE (0.45) BCHEACHEBACE1DRD4HTT
SCHEMBL2214357 0.89 BCHE (0.45) BCHEACHEBACE1DRD4HTT
SCHEMBL2217675 0.89 MGLL (0.48) BCHEACHEBACE1DRD4HTT
SCHEMBL2217669 0.89 MGLL (0.48) BCHEACHEBACE1DRD4HTT
SCHEMBL2216389 0.86 TEAD1 (0.64) BCHEACHEBACE1DRD4KMT2A
SCHEMBL2216396 0.86 TEAD1 (0.64) BCHEACHEBACE1DRD4KMT2A
SCHEMBL1579995 0.85 ALDH1A1 (0.46) BCHEACHEBACE1DRD4HTT
SCHEMBL1579996 0.85 ALDH1A1 (0.46) BCHEACHEBACE1DRD4HTT

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-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 BCHE 1974/4885ACHE 2527/4885BACE1 1750/4885

“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.