SCHEMBL4528645

SCHEMBL4528645

COc1cc([N+](=O)[O-])ccc1CN(C(=O)OC(C)(C)C)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
HTT P42858 2/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNJ1 P48048 1/20 0.41
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4524715 0.86 ALDH1A1 (0.42) HTTLMNAL3MBTL1POLBALDH1A1
SCHEMBL4525031 0.85 ALDH1A1 (0.46) HTTLMNAL3MBTL1POLBALDH1A1
SCHEMBL4536003 0.82 TSHR (0.43) GAAHTTPOLBALDH1A1KMT2A
SCHEMBL4535829 0.81 CYP1A2 (0.45) HTTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL1098330 0.78 CETP (0.38) HTTLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL4525683 0.77 CETP (0.38) GAAHTTLMNAALDH1A1KMT2A
SCHEMBL1099570 0.77 CETP (0.38) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL1099406 0.76 NR1H4 (0.40) LMNAALDH1A1MAPT
SCHEMBL4523432 0.76 CETP (0.38) LMNAALDH1A1MAPT
SCHEMBL27080132 0.76 PYCR1 (0.39) GAAPOLBKMT2AMEN1NPSR1

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 GAA 3392/4885HTT 3230/4885PKM 1880/4885

“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.