SCHEMBL4525335

SCHEMBL4525335

CN(CCO)c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 6/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.36
MMP14 P50281 1/20 0.36
EGFR P00533 1/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
MAP4K4 O95819 1/20 0.34

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
SCHEMBL10265072 0.86 MAPT (0.42) ALDH1A1KDM4EMAPTPOLBRAB9A
SCHEMBL6741043 0.86 MAPT (0.49) ALDH1A1MAPTHTTPOLBRAB9A
SCHEMBL2791587 0.82 MAPT (0.39) MAPTSMN1; SMN2POLBRAB9APKM
SCHEMBL23334546 0.82 MAPT (0.42) MAPTHTTPOLBL3MBTL1RAB9A
SCHEMBL1099100 0.79 RAB9A (0.45) ALDH1A1MAPTSMN1; SMN2POLBL3MBTL1
SCHEMBL21640132 0.78 MAPT (0.36) ALDH1A1MAPTSMN1; SMN2POLBRAB9A
SCHEMBL24525751 0.76 MAPT (0.37) MAPTHTTSMN1; SMN2POLBRAB9A
SCHEMBL1729465 0.76 MAPT (0.68) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL16230053 0.75 MAPT (0.40) ALDH1A1MAPTHTTPOLBRAB9A
SCHEMBL30541452 0.73 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTHTTSMN1; SMN2

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 2449/4885KDM4E 2349/4885MAPT 3649/4885

“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.