SCHEMBL3021071

SCHEMBL3021071

O=[N+]([O-])c1ccc(Oc2cccnc2)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.64
HTT P42858 3/20 0.64
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 6/20 0.57
MAPT P10636 7/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
CYP19A1 P11511 3/20 0.49
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL17597185 0.87 MAPT (0.64) LMNAHTTTDP1ALDH1A1MAPT
SCHEMBL29851417 0.87 MAPT (0.64) LMNAHTTTDP1ALDH1A1MAPT
SCHEMBL2030261 0.87 LMNA (0.59) LMNAHTTTDP1ALDH1A1MAPT
SCHEMBL30166997 0.87 ALDH1A1 (0.60) LMNAHTTTDP1ALDH1A1MAPT
SCHEMBL2537366 0.87 MAPT (0.64) LMNAHTTTDP1ALDH1A1MAPT
SCHEMBL29115634 0.85 LMNA (0.57) LMNAHTTTDP1ALDH1A1MAPT
SCHEMBL16198146 0.85 LMNA (0.57) LMNAHTTTDP1ALDH1A1MAPT
SCHEMBL11777721 0.82 ALDH1A1 (0.57) LMNAHTTTDP1ALDH1A1MAPT
SCHEMBL4543292 0.82 ALDH1A1 (0.64) LMNAHTTTDP1ALDH1A1MAPT
SCHEMBL4362875 0.81 ALDH1A1 (0.56) LMNAHTTTDP1ALDH1A1MAPT

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-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists BARTON NICHOLAS PAUL 2010-08-26 US disclosed
US-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists BARTON NICHOLAS PAUL 2010-08-26 US disclosed
EP-2139861-A1 BENZIMIDAZOLES WITH A HETERO SPIRO-DECANE RESIDUE AS NPY-Y5 ANTAGONISTS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008129007-A1 BENZIMIDAZOLES WITH A HETERO SPIRO-DECANE RESIDUE AS NPY-Y5 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists NPY5R, NPY4R, NPY1R LMNA 1722/4885HTT 2756/4885TDP1 3912/4885

“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.