SCHEMBL3434229

SCHEMBL3434229

NC(=O)CN1CC2CC1CN2c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.44
SIRT1 Q96EB6 3/20 0.44
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
CTSD P07339 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
AR P10275 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
GRM5 P41594 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3435588 0.81 HDAC1 (0.40) SIRT2SIRT1
SCHEMBL4513293 0.81 MAPK1 (0.41) SIRT2SIRT1ALDH1A1LMNAGAA
SCHEMBL3436312 0.80 SIRT1 (0.40) SIRT2SIRT1ALDH1A1MAPTAR
SCHEMBL3436233 0.80 SLC6A9 (0.49) SIRT2SIRT1ALDH1A1LMNAHTT
SCHEMBL3434159 0.80 SLC6A9 (0.49) SIRT2SIRT1ALDH1A1LMNAHTT
SCHEMBL9142677 0.77 CHRNA7 (0.45) ALDH1A1LMNAHTTKMT2A
SCHEMBL9142672 0.77 CHRNA7 (0.45) ALDH1A1LMNAHTTKMT2A
SCHEMBL9142665 0.77 CHRNA7 (0.45) ALDH1A1LMNAHTTKMT2A
SCHEMBL3435994 0.71 HTR1A (0.53) SIRT2SIRT1ALDH1A1LMNAGAA
SCHEMBL29772882 0.70 MAPT (0.44) ALDH1A1LMNAGAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 SIRT2 529/4885SIRT1 225/4885ALDH1A1 975/4885

“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.