SCHEMBL1759543

SCHEMBL1759543

[CH2]C(O)c1ccc(N2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
MAPT P10636 8/20 0.45
KDM4E B2RXH2 4/20 0.45
NPSR1 Q6W5P4 4/20 0.45
KMT2A Q03164 4/20 0.45
ALOX15 P16050 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
NPC1 O15118 3/20 0.45
TP53 P04637 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 3/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
USP2 O75604 2/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
HPGD P15428 3/20 0.44
TDP1 Q9NUW8 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
SCHEMBL11350735 0.81 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL18634579 0.81 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL2174173 0.76 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL2447185 0.76 MAPT (0.55) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL23053352 0.75 MAPT (0.51) ALDH1A1MAPTKDM4ENPSR1KMT2A
Methoxymethane SCHEMBL10349009 0.75 HIF1A (0.46) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL9533465 0.75 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL10404832 0.74 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL277165 0.74 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL6887590 0.74 ALDH1A1 (0.71) ALDH1A1MAPTKDM4ENPSR1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765728-B2 [1,5]-diazocin derivatives MELLITECH (FR) 2014-07-01 US disclosed
EP-2501685-A1 [1,5]-DIAZOCIN DERIVATIVES Mellitech (FR) 2012-09-26 EP disclosed
US-20120225892-A1 [1,5]-Diazocin Derivatives MELLITECH (FR) 2012-09-06 US disclosed
WO-2011058193-A1 [1,5]-DIAZOCIN DERIVATIVES MELLITECH (FR) 2011-05-19 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 (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-20120225892-A1 [1,5]-Diazocin Derivatives IAPP, INSR, GLP1R ALDH1A1 610/4885MAPT 4226/4885KDM4E 3585/4885

“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.