SCHEMBL4932782

SCHEMBL4932782

O=[N+]([O-])c1cccc(OCCCCN(CCCl)CCCl)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.61
CHRNA4 P43681 1/20 0.61
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
LTA4H P09960 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPT P10636 1/20 0.46
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
TSHR P16473 1/20 0.43
FAAH O00519 2/20 0.42
KCNH2 Q12809 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
SCHEMBL4935255 0.92 CHRNB2 (0.68) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL28505899 0.87 CHRNB2 (0.64) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL4939951 0.87 CHRNB2 (0.61) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL3975841 0.86 CHRNB2 (0.66) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL4933247 0.83 KCNH2 (0.59) LTA4HPTGS2MAPTKCNH2
SCHEMBL3442965 0.83 CHRNB2 (0.66) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL14028449 0.83 CHRNB2 (0.69) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL7042749 0.83 CHRNB2 (0.67) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL1284065 0.81 CHRNB2 (0.68) CHRNB2CHRNA4HPGDLMNAMAPT
SCHEMBL1171960 0.80 CHRNB2 (0.62) CHRNB2CHRNA4HPGDLMNALTA4H

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-20080176889-A1 9-anilinoacridine alkylating agents ACADEMIA SINICA (TW) 2008-07-24 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-20080176889-A1 9-anilinoacridine alkylating agents BCL9, MCL1, BCL9L CHRNB2 4473/4885CHRNA4 3797/4885HPGD 3892/4885

“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.