SCHEMBL4524727

SCHEMBL4524727

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
BACE1 P56817 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 2/20 0.41
SIRT6 Q8N6T7 1/20 0.40
NPC1 O15118 2/20 0.40
CYP3A4 P08684 1/20 0.40
CHEK1 O14757 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TLR9 Q9NR96 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL12856188 0.82 ALDH1A1 (0.40) ALDH1A1LMNABACE1TDP1MAPT
SCHEMBL3719769 0.81 ALDH1A1 (0.52) ALDH1A1LMNABACE1TDP1MAPT
SCHEMBL1311973 0.81 ALDH1A1 (0.46) ALDH1A1LMNATDP1MAPTSIRT6
SCHEMBL30871973 0.80 ALDH1A1 (0.45) ALDH1A1LMNABACE1TDP1MAPT
SCHEMBL16003471 0.80 ALDH1A1 (0.45) ALDH1A1LMNABACE1TDP1MAPT
SCHEMBL222267 0.78 MAPT (0.62) ALDH1A1LMNABACE1TDP1MAPT
SCHEMBL3312562 0.77 SMN1; SMN2 (0.47) ALDH1A1LMNABACE1TDP1MAPT
SCHEMBL3314688 0.76 LMNA (0.42) ALDH1A1LMNABACE1TDP1MAPT
SCHEMBL4519970 0.76 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4POLBL3MBTL1
SCHEMBL3312259 0.75 NR1D1 (0.42) ALDH1A1LMNABACE1TDP1MAPT

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 2449/4885LMNA 1025/4885BACE1 3963/4885

“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.