SCHEMBL14028895

SCHEMBL14028895

CCCCNCCN1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.83
HEXA P06865 13/20 0.80
HEXB P07686 13/20 0.80
OGA O60502 2/20 0.80
DYRK3 O43781 1/20 0.59
RPS6KB1 P23443 1/20 0.59
EPHA2 P29317 1/20 0.59
FLT4 P35916 1/20 0.59
CSNK2A1 P68400 1/20 0.59
CYP1B1 Q16678 1/20 0.58
NR1I2 O75469 1/20 0.56
POLB P06746 1/20 0.56
AHR P35869 1/20 0.56
RAD52 P43351 1/20 0.56
RCE1 Q9Y256 1/20 0.56

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
SCHEMBL14537686 0.94 SIRT1 (0.79) SIRT1HEXAHEXBOGACYP1B1
Elinafide SCHEMBL6256967 0.91 SIRT1 (1.00) SIRT1HEXAHEXBOGANR1I2
SCHEMBL8396162 0.91 SIRT1 (0.94) SIRT1HEXAHEXBOGANR1I2
Elinafide SCHEMBL29441732 0.91 SIRT1 (1.00) SIRT1HEXAHEXBOGANR1I2
Elinafide SCHEMBL19067 0.91 SIRT1 (1.00) SIRT1HEXAHEXBOGANR1I2
SCHEMBL14548886 0.90 SIRT1 (0.82) SIRT1HEXAHEXBOGACYP1B1
SCHEMBL4408773 0.89 HEXA (1.00) SIRT1HEXAHEXBOGA
SCHEMBL31011151 0.89 HEXA (1.00) SIRT1HEXAHEXBOGA
SCHEMBL14537685 0.89 SIRT1 (0.84) SIRT1HEXAHEXBOGACYP1B1
SCHEMBL14548885 0.89 SIRT1 (0.79) SIRT1HEXAHEXBOGACYP1B1

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-20080287484-A1 Neurotrophin antagonist compositions TEHIM ASHOK 2008-11-20 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-20080287484-A1 Neurotrophin antagonist compositions NGF, NTRK2, BDNF SIRT1 1700/4885HEXA 286/4885HEXB 253/4885

“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.