SCHEMBL13609902

SCHEMBL13609902

COCCOc1cc([N+](=O)[O-])c2[nH]c(C3=CCC(C(OC)OC)S3)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.33
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL2978236 0.84 XDH (0.32) XDH
SCHEMBL13609903 0.84
SCHEMBL2659824 0.69 FBP1 (0.56) XDHALDH1A1
SCHEMBL27784596 0.67 XDH (0.38) XDHALDH1A1HTT
SCHEMBL2668864 0.67
SCHEMBL13222113 0.67
SCHEMBL2660430 0.66 XDH (0.53) XDHALDH1A1HTT
SCHEMBL1663359 0.65 MAPT (0.55) ALDH1A1HTT
SCHEMBL8495069 0.64 ALDH1A1 (0.53) ALDH1A1HTT
SCHEMBL13622820 0.63

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-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 US disclosed
US-20090286975-A1 Indole compound YASUMA TSUNEO 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-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 XDH 1286/4885ALDH1A1 376/4885HTT 1610/4885

“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.