SCHEMBL4935836

SCHEMBL4935836

Cn1cnc(CCNc2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KAT2B Q92831 2/20 0.49
PKM P14618 3/20 0.47
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR6 P50406 1/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4122712 0.78 PKM (0.73) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL4938057 0.78 CYP2C9 (0.49) LMNAGAA
SCHEMBL4935806 0.75 KAT2B (0.49) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL6198859 0.74 KAT2B (0.80) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL20797666 0.74 KAT2B (0.48) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL103245 0.72 KMT2A (0.63) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL4077151 0.72 KAT2B (0.66) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL7170020 0.71 KAT2B (0.81) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL6200169 0.71 KAT2B (0.81) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL12515298 0.70 KAT2B (0.69) MAPTNPC1RAB9ASMN1; SMN2KAT2B

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.