SCHEMBL4528667

SCHEMBL4528667

O=[N+]([O-])c1cccc(OCCNC2CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.59
CHRNA4 P43681 2/20 0.59
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
POLB P06746 1/20 0.50
LTA4H P09960 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
FAAH O00519 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL15498199 0.81 CHRNB2 (0.73) CHRNB2CHRNA4ALDH1A1CHRNB4CHRNA3
SCHEMBL16580896 0.80 CHRNB2 (0.65) CHRNB2CHRNA4ALDH1A1CHRNB4CHRNA3
SCHEMBL7099639 0.79 CHRNB2 (0.63) CHRNB2CHRNA4ALDH1A1KDM4ECHRNB4
SCHEMBL3442965 0.78 CHRNB2 (0.66) CHRNB2CHRNA4ALDH1A1CHRNB4CHRNA3
SCHEMBL14028449 0.78 CHRNB2 (0.69) CHRNB2CHRNA4ALDH1A1CHRNB4CHRNA3
SCHEMBL11180739 0.77 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL541821 0.77 MEN1 (0.61) CHRNB2CHRNA4ALDH1A1DRD2DRD4
SCHEMBL15272157 0.76 HPGD (0.59) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL4523282 0.76 POLB (0.64) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL3029851 0.76 MEN1 (0.56) CHRNB2CHRNA4ALDH1A1DRD2DRD4

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 CHRNB2 3994/4885CHRNA4 2220/4885ALDH1A1 2449/4885

“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.