SCHEMBL4523306

SCHEMBL4523306

COC(=O)c1cc(C(=O)NC2CC2)cc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
HPGD P15428 3/20 0.57
LMNA P02545 2/20 0.57
AHR P35869 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 2/20 0.52
RECQL P46063 1/20 0.51
ALDH1A1 P00352 3/20 0.49
CASP3 P42574 1/20 0.47

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
SCHEMBL4524559 0.84 L3MBTL1 (0.57) HPGDLMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL561284 0.83 HTT (0.64) GAAHPGDLMNAAHRHTT
SCHEMBL13139930 0.82 L3MBTL1 (0.58) HPGDL3MBTL1SMN1; SMN2POLBMEN1
SCHEMBL8762477 0.82 HTT (0.59) GAAHPGDLMNAAHRHTT
SCHEMBL3071849 0.81 L3MBTL1 (0.63) HPGDLMNAL3MBTL1SMN1; SMN2MEN1
SCHEMBL2367399 0.81 HTT (0.63) GAAHPGDLMNAAHRHTT
SCHEMBL8291434 0.80 GAA (0.60) GAAHPGDLMNAAHRHTT
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.80 SMN1; SMN2 (0.60) GAAHTTSMN1; SMN2POLBMEN1
SCHEMBL3080624 0.80 L3MBTL1 (0.62) HPGDL3MBTL1SMN1; SMN2POLBMEN1
SCHEMBL12443197 0.80 L3MBTL1 (0.62) HPGDL3MBTL1SMN1; SMN2POLBMEN1

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 3392/4885HPGD 684/4885LMNA 1025/4885

“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.