SCHEMBL4295085

SCHEMBL4295085

O=C(O)CCCCCCCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 3/20 0.62
POLB P06746 2/20 0.60
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
GAA P10253 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HCAR3 P49019 3/20 0.55
PRSS1 P07477 3/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 2/20 0.52
THRB P10828 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
NPC1 O15118 1/20 0.50
TRPA1 O75762 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 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
SCHEMBL37830 1.00 MAPT (0.63) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL29928397 1.00 MAPT (0.63) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL9755054 0.99 MAPT (0.65) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL4301793 0.95 MAPT (0.70) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL10932609 0.90 MAPT (0.63) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL7349997 0.89 MAPT (0.62) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL17875231 0.88 MAPT (0.56) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL27343040 0.86 MAPT (0.73) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL8536167 0.86 PRSS1 (0.56) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL14364287 0.85 MAPT (0.60) MAPTKDM4EALDH1A1POLBKMT2A

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
EP-1945798-B1 METHOD FOR DETERMINING THE CLEAVABILITY OF SUBSTRATES FORSCHUNGSZENTRUM BORSTEL (DE) 2013-05-22 EP disclosed
US-20090258381-A1 Methods for Determining the Cleavability of Substrates FORSCHUNGSZENTRUM BORSTEL (DE) 2009-10-15 US disclosed
EP-1945798-A2 METHODS FOR DETERMINING THE CLEAVABILITY OF SUBSTRATES Forschungszentrum Borstel (DE) 2008-07-23 EP disclosed
WO-2007051605-A2 METHODS FOR DETERMINING THE CLEAVABILITY OF SUBSTRATES FORSCHUNGSZENTRUM BORSTEL (DE) 2007-05-10 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-20090258381-A1 Methods for Determining the Cleavability of Substrates CTSF, ADAM17, ADAM10 MAPT 4135/4885KDM4E 2739/4885ALDH1A1 2172/4885

“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.