SCHEMBL4524559

SCHEMBL4524559

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
HCAR3 P49019 3/20 0.50
TP53 P04637 1/20 0.49
ALOX5 P09917 1/20 0.47
POLB P06746 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 2/20 0.44
ADRA2A P08913 1/20 0.43
MCHR1 Q99705 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SRD5A2 P31213 1/20 0.42

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
SCHEMBL13139930 0.86 L3MBTL1 (0.58) L3MBTL1POLBMEN1KMT2AALDH1A1
SCHEMBL3071849 0.84 L3MBTL1 (0.63) L3MBTL1MEN1KMT2ALMNAALDH1A1
SCHEMBL4523306 0.84 GAA (0.60) L3MBTL1POLBMEN1KMT2AMAPT
SCHEMBL12443197 0.83 L3MBTL1 (0.62) L3MBTL1POLBMEN1KMT2AALDH1A1
SCHEMBL3080624 0.83 L3MBTL1 (0.62) L3MBTL1POLBMEN1KMT2AALDH1A1
SCHEMBL29954498 0.81 L3MBTL1 (0.53) L3MBTL1ALOX5POLBKMT2AMAPT
SCHEMBL232779 0.80 TP53 (0.64) TP53ALOX5POLBMEN1KMT2A
SCHEMBL29077532 0.79 KMT2A (0.61) L3MBTL1TP53POLBMEN1KMT2A
SCHEMBL8374440 0.78 SRD5A2 (0.60) TP53ALOX5POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL2299193 0.78 TP53 (0.62) TP53ALOX5POLBMEN1KMT2A

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 L3MBTL1 3948/4885HCAR3 400/4885TP53 27/4885

“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.