SCHEMBL4517337

SCHEMBL4517337

COc1cc(NC[C@H](C)O)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
MAPT P10636 6/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 1/20 0.46
POLB P06746 1/20 0.45
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SIRT6 Q8N6T7 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL20718866 0.81 ALDH1A1 (0.56) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL14243000 0.81 NPC1 (0.52) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL29588009 0.81 ALDH1A1 (0.52) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL4535542 0.81 ALDH1A1 (0.52) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL3719830 0.78 ALDH1A1 (0.50) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL10915469 0.78 ALDH1A1 (0.51) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL10654179 0.78 MAPT (0.55) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL29588016 0.78 ALDH1A1 (0.52) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL11512455 0.77 ALDH1A1 (0.62) ALDH1A1MAPTMAPK1HTTPOLB
SCHEMBL8756218 0.77 HTT (0.58) ALDH1A1MAPTL3MBTL1MAPK1HTT

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-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 ALDH1A1 2449/4885MAPT 3649/4885GAA 3392/4885

“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.