SCHEMBL4936233

SCHEMBL4936233

O=[N+]([O-])c1ccccc1NCCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 2/20 0.56
KAT2B Q92831 2/20 0.52
HTT P42858 2/20 0.52
PKM P14618 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 1/20 0.46
HTR6 P50406 2/20 0.46
GAA P10253 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 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
SCHEMBL9540575 0.86 MAPT (0.63) MAPTHTTPKMLMNASMN1; SMN2
SCHEMBL103245 0.84 KMT2A (0.63) MAPTNPC1RAB9AKAT2BHTT
SCHEMBL22456637 0.84 KAT2B (0.54) MAPTKAT2BHTTPKMLMNA
SCHEMBL16113076 0.84 MAPT (0.49) MAPTNPC1RAB9AHTTPKM
SCHEMBL22440876 0.81 PKM (0.62) MAPTPKMLMNASMN1; SMN2KMT2A
SCHEMBL22440854 0.81 PKM (0.51) MAPTHTTPKMLMNASMN1; SMN2
SCHEMBL22456638 0.81 PKM (0.48) MAPTNPC1HTTPKMLMNA
SCHEMBL26230982 0.81 HTR6 (0.49) MAPTNPC1RAB9AHTTPKM
SCHEMBL6198859 0.77 KAT2B (0.80) MAPTNPC1RAB9AKAT2BHTT
SCHEMBL1236774 0.77 ALDH1A1 (0.76) MAPTNPC1RAB9AHTTLMNA

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-20080096861-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 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-20080096861-A1 Chemical Compounds CCR5, CXCR4, CXCR3 MAPT 3251/4885NPC1 243/4885RAB9A 1478/4885

“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.