SCHEMBL3435667

SCHEMBL3435667

COc1ccc([N+](=O)[O-])c(N2CCN(CC(N)=O)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 12/20 0.47
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 4/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
GSR P00390 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
PAX8 Q06710 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2080235 0.82 POLB (0.56) ALDH1A1MAPTMAPK1POLBTDP1
SCHEMBL3434178 0.82 MAPT (0.45) ALDH1A1MAPTMAPK1POLBTDP1
SCHEMBL3436012 0.82 HTT (0.41) ALDH1A1POLBTDP1GAA
SCHEMBL3436508 0.82 NNMT (0.43) ALDH1A1KMT2AGAAGFER
SCHEMBL5753875 0.80 SIRT6 (0.54) TXNRD1ALDH1A1MAPTMAPK1POLB
SCHEMBL30435070 0.80 SIRT6 (0.54) TXNRD1ALDH1A1MAPTMAPK1POLB
SCHEMBL5752857 0.80 ALDH1A1 (0.64) TXNRD1ALDH1A1MAPTMAPK1POLB
SCHEMBL2421463 0.80 ALDH1A1 (0.64) TXNRD1ALDH1A1MAPTMAPK1POLB
SCHEMBL5754304 0.77 TXNRD1 (0.57) TXNRD1ALDH1A1MAPTMAPK1POLB
SCHEMBL6509373 0.77 TXNRD1 (0.47) TXNRD1ALDH1A1MAPTMAPK1POLB

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 TXNRD1 301/4885ALDH1A1 975/4885MAPT 1330/4885

“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.