SCHEMBL28851

SCHEMBL28851

C1=NN=N[C]1CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
DAO P14920 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2B6 P20813 1/20 0.32
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
CEL P19835 1/20 0.31

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
SCHEMBL2074486 0.61 HTR3A (0.35) HTR3AHRH4DAO
SCHEMBL3197095 0.60 RAB9A (0.44) HTR3AHRH4ALDH1A1RAB9ATSHR
SCHEMBL7698753 0.60 HRH4 (0.41) HTR3AHRH4DAOALDH1A1RAB9A
SCHEMBL1524741 0.58 HTR3A (0.39) HTR3AHRH4DAOTSHRRECQL
SCHEMBL1524762 0.58 HTR3A (0.39) HTR3AHRH4DAOTSHRRECQL
SCHEMBL2334878 0.58 HTR3A (0.39) HTR3AHRH4DAOTSHRRECQL
SCHEMBL15552104 0.58 HTR3A (0.39) HTR3AHRH4DAOTSHRRECQL
SCHEMBL6585017 0.58 HTR3A (0.39) HTR3AHRH4DAOTSHRRECQL
SCHEMBL1524531 0.58 HRH4 (0.39) HTR3AHRH4DAOALDH1A1RAB9A
SCHEMBL19815900 0.57

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 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 (2 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 HTR3A 1550/4885HRH4 287/4885DAO 2352/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HTR3A 1382/4885HRH4 251/4885DAO 2631/4885

“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.