SCHEMBL1231815

SCHEMBL1231815

O=C(O)NCCCNc1c([N+](=O)[O-])cnc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
SIRT5 Q9NXA8 4/20 0.42
BACE1 P56817 1/20 0.42
ATM Q13315 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
GSR P00390 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BRD4 O60885 1/20 0.39
MAOB P27338 1/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL1231816 1.00 MAPT (0.42) MAPTSIRT5BACE1ATMLMNA
SCHEMBL1486461 0.98 MEN1 (0.42) MAPTSIRT5BACE1ATMLMNA
SCHEMBL1486464 0.98 MEN1 (0.42) MAPTSIRT5BACE1ATMLMNA
SCHEMBL1231886 0.94 MAPT (0.43) MAPTBACE1ATMLMNAHPGD
SCHEMBL1231888 0.94 MAPT (0.43) MAPTBACE1ATMLMNAHPGD
SCHEMBL1486588 0.91 MAPT (0.46) MAPTBACE1ATMLMNAHPGD
SCHEMBL1486586 0.91 MAPT (0.46) MAPTBACE1ATMLMNAHPGD
SCHEMBL1231851 0.89 BCL2 (0.46) MAPTSIRT5BRD4
SCHEMBL311966 0.88 MEN1 (0.43) MAPTBACE1ATMLMNAMEN1
SCHEMBL4394795 0.87 BCL2 (0.46) MAPTBRD4

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-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
EP-1699792-A1 PIPERAZINE, 1,4¨DIAZEPANE, 1,4¨DIAZOCANE, AND 1,5¨DIAZOCANE FUSED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-09-13 EP disclosed
WO-2005066172-A1 PIPERAZINE, [1,4]DIAZEPANE, [1,4]DIAZOCANE, AND [1,5]DIAZOCANE FUSED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 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-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 MAPT 4222/4885SIRT5 506/4885BACE1 1718/4885

“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.