SCHEMBL4933247

SCHEMBL4933247

O=[N+]([O-])c1ccc(OCCCCN(CCCl)CCCl)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.59
HRH3 Q9Y5N1 1/20 0.53
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
LSS P48449 2/20 0.48
MAPT P10636 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
LTA4H P09960 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL4937425 0.93 GAA (0.55) KCNH2HRH3DRD2DRD4DRD3
SCHEMBL4933227 0.91 KCNH2 (0.63) KCNH2HRH3DRD2DRD4DRD3
SCHEMBL3534383 0.86 HRH3 (0.59) KCNH2HRH3DRD2DRD4DRD3
SCHEMBL4940759 0.85 GAA (0.61) KCNH2HRH3DRD2DRD4DRD3
SCHEMBL2974984 0.84 DRD2 (0.59) KCNH2HRH3DRD2DRD4DRD3
SCHEMBL4932782 0.83 CHRNB2 (0.61) KCNH2MAPTLTA4HPTGS2
SCHEMBL1735227 0.81 KCNH2 (0.55) KCNH2HRH3DRD2DRD4DRD3
SCHEMBL10554981 0.81 HRH3 (0.69) KCNH2HRH3DRD2DRD4DRD3
SCHEMBL9570561 0.81 HRH3 (0.69) KCNH2HRH3DRD2DRD4DRD3
SCHEMBL5390369 0.81 HRH3 (0.69) KCNH2HRH3DRD2DRD4DRD3

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 KCNH2 2174/4885HRH3 3448/4885DRD2 3048/4885

“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.