SCHEMBL4524715

SCHEMBL4524715

CC(C)(C)OC(=O)N(Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
REN P00797 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL4525031 0.92 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RENLMNAKMT2A
SCHEMBL4528645 0.86 GAA (0.43) ALDH1A1SMN1; SMN2LMNAKMT2AMAPT
SCHEMBL4528051 0.82 SLC6A4 (0.43) SLC6A2SLC6A4RENSLC6A3HTR2A
SCHEMBL4535829 0.80 CYP1A2 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL27270132 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAKMT2AMAPT
SCHEMBL3161090 0.76 MEN1 (0.46) ALDH1A1SMN1; SMN2LMNAKMT2AMAPT
SCHEMBL7426435 0.76 KMT2A (0.40) ALDH1A1SMN1; SMN2RENLMNAKMT2A
SCHEMBL7423995 0.76 POLB (0.44) LMNAPOLB
SCHEMBL4526670 0.76 REN (0.43) SLC6A2SLC6A4RENSLC6A3KMT2A
SCHEMBL663586 0.76 REN (0.43) ALDH1A1SLC6A2SLC6A4RENSLC6A3

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 2449/4885SMN1; SMN2 4036/4885SLC6A2 533/4885

“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.