SCHEMBL17033451

SCHEMBL17033451

CCC(=O)CSc1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
ALPG P10696 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
APEX1 P27695 1/20 0.44
PDE7A Q13946 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 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
SCHEMBL15604542 0.86 HSD17B10 (0.39) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL17033348 0.84 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2705062 0.82 APEX1 (0.63) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2769121 0.81 ALDH1A1 (0.53) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7230419 0.81 APEX1 (0.47) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3386571 0.80 MEN1 (0.53) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL9787327 0.78 ALDH1A1 (0.60) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL11326715 0.78 APEX1 (0.47) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL11863767 0.77 ALDH1A1 (0.54) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7764834 0.77 MEN1 (0.50) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150237857-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2015-08-27 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-20150237857-A1 ANTIBACTERIAL INHIBITORS MRPL21, Q6ZSR9, SPOUT1 SLC6A2 4325/4885SLC6A4 4647/4885SLC6A3 4416/4885

“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.