SCHEMBL6405508

SCHEMBL6405508

[O-][N+]1=CNCc2c(OCc3ccccc3)cc(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.45
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
SLC6A4 P31645 3/20 0.36
PTGER1 P34995 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MAPT P10636 2/20 0.35
HTR1A P08908 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
LMNA P02545 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MPO P05164 1/20 0.33

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
SCHEMBL6031477 0.72 CHRNA7 (0.49)
SCHEMBL30112197 0.70 KDM1A (0.53) KDM1AMAOAMAOBL3MBTL1PTGER1
SCHEMBL23674659 0.70 KDM1A (0.53) KDM1AMAOAMAOBL3MBTL1PTGER1
SCHEMBL6405506 0.68 KDM1A (0.45) KDM1AMAOAMAOBL3MBTL1PTGER1
SCHEMBL17543747 0.66 MAOB (0.53) KDM1AMAOAMAOBL3MBTL1LMNA
SCHEMBL16266200 0.64 MGMT (0.51) KDM1AMAPT
SCHEMBL30335518 0.64 KDM1A (0.49) KDM1AMAOBL3MBTL1PTGER1MAPT
SCHEMBL2896596 0.64 KDM1A (0.59) KDM1AMAOAMAOBL3MBTL1SLC6A4
SCHEMBL21685531 0.64 KDM1A (0.52) KDM1AMAOAMAOBL3MBTL1PTGER1
SCHEMBL23883871 0.64 KDM1A (0.49) KDM1AMAOBL3MBTL1PTGER1MAPT

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-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 KDM1A 2308/4885MAOA 1889/4885MAOB 1671/4885

“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.