SCHEMBL1521469

SCHEMBL1521469

Cc1nn(CCC(=O)O)c(C)c1[N+](=O)[O-]

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
POLB P06746 2/20 0.55
ALDH1A1 P00352 7/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 4/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL2760498 0.84 POLB (0.65) HTTPOLBALDH1A1L3MBTL1LMNA
SCHEMBL12479809 0.82 HTT (0.55) HTTPOLBALDH1A1L3MBTL1LMNA
SCHEMBL6418088 0.82 HTT (0.57) HTTPOLBALDH1A1L3MBTL1LMNA
SCHEMBL18354808 0.80 NPC1 (0.56) HTTPOLBALDH1A1LMNAMEN1
SCHEMBL16943099 0.79 NPC1 (0.55) HTTPOLBALDH1A1ATMLMNA
SCHEMBL8657291 0.78 HTT (0.57) HTTPOLBALDH1A1L3MBTL1LMNA
SCHEMBL1520529 0.76 POLB (0.63) HTTPOLBALDH1A1L3MBTL1LMNA
SCHEMBL2066583 0.76 NPC1 (0.59) HTTPOLBALDH1A1LMNAKMT2A
SCHEMBL16832768 0.75 ALDH1A1 (0.58) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL16985301 0.73 HTT (0.52) HTTPOLBALDH1A1L3MBTL1LMNA

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-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 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 (2 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT HTT 3243/4885POLB 2747/4885ALDH1A1 1077/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT HTT 3609/4885POLB 2709/4885ALDH1A1 1238/4885

“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.