SCHEMBL4525944

SCHEMBL4525944

CC(C)(C)OC(=O)N(CC(=O)Nc1ccccc1)C1CC1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
POLB P06746 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL4513451 0.84 GAA (0.40) MAPTGAAL3MBTL1RAB9AHPGD
SCHEMBL4525941 0.73 MEN1 (0.53) MAPTALDH1A1GAAPOLBL3MBTL1
SCHEMBL6657986 0.71 LTA4H (0.52) ALDH1A1KMT2AHTT
SCHEMBL30596225 0.70 KMT2A (0.49) MAPTGAAPOLBMEN1KMT2A
SCHEMBL237030 0.69 KDM1A (0.46) SMN1; SMN2KDM1ANPSR1HDAC8HDAC6
SCHEMBL237029 0.69 KDM1A (0.46) SMN1; SMN2KDM1ANPSR1HDAC8HDAC6
SCHEMBL2755941 0.69 KDM1A (0.46) SMN1; SMN2KDM1ANPSR1HDAC8HDAC6
SCHEMBL4513449 0.68 ALDH1A1 (0.44) ALDH1A1POLBL3MBTL1KMT2AKDM4E
SCHEMBL4526488 0.67 KDM1A (0.49) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12242253 0.66 MAOA (0.44) KDM1AHDAC8HDAC6

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 MAPT 3649/4885ALDH1A1 2449/4885GAA 3392/4885

“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.