SCHEMBL6281044

SCHEMBL6281044

O=C(O)NCCCCNc1c([N+](=O)[O-])cnc2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MAPT P10636 7/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
SIRT5 Q9NXA8 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL6281042 1.00 LMNA (0.42) LMNAHDAC1HDAC6MAPTMEN1
SCHEMBL6280467 0.93 MAPT (0.42) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL6280457 0.93 MAPT (0.42) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL4315347 0.87 MAPT (0.48) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL3181213 0.86 MAPT (0.49) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL4310071 0.86 MAPT (0.43) LMNAHDAC1HDAC6MAPTMEN1
SCHEMBL3351829 0.85 KDM4E (0.44) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL1951779 0.84 MAPT (0.51) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL1951777 0.84 MAPT (0.51) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL2749823 0.83 MAPT (0.57) LMNAMAPTMEN1KMT2AMAPK1

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-6894165-B2 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-17 US disclosed
US-20040204436-A1 Imidazonaphthyridines MEDICIS PHARMACEUTICAL CORPORATION 2004-10-14 US disclosed
US-6699878-B2 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-03-02 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-20040204436-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 LMNA 3209/4885HDAC1 1650/4885HDAC6 1469/4885

“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.