SCHEMBL16280667

SCHEMBL16280667

CCCCNc1nc(NCc2ccccc2)c2ccccc2n1

nearest known ligand 0.92

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.92
ACHE P22303 9/20 0.85
BCHE P06276 8/20 0.85
APP P05067 8/20 0.85
RAD52 P43351 1/20 0.76
KDM4E B2RXH2 1/20 0.74
ALDH1A1 P00352 1/20 0.74
LMNA P02545 1/20 0.74
MAPT P10636 1/20 0.74
PKM P14618 1/20 0.74
UBE2N P61088 1/20 0.74
KMT2A Q03164 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
RCE1 Q9Y256 1/20 0.74
CTNNB1 P35222 1/20 0.64
TCF7L2 Q9NQB0 1/20 0.64
SLC2A1 P11166 1/20 0.60
ACP1 P24666 1/20 0.58

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
SCHEMBL3636779 0.92 ACHE (1.00) CASP6ACHEBCHEAPPRAD52
SCHEMBL11735120 0.90 CASP6 (0.84) CASP6ACHEBCHEAPPRAD52
SCHEMBL12175837 0.87 RAD52 (1.00) CASP6ACHEBCHEAPPRAD52
SCHEMBL8892633 0.86 RAD52 (0.76) CASP6ACHEBCHEAPPRAD52
SCHEMBL9913720 0.84 ALDH1A1 (0.68) CASP6ACHEBCHEAPPALDH1A1
SCHEMBL9487448 0.83 CASP6 (0.64) CASP6ACHEBCHEAPPRAD52
SCHEMBL3639768 0.82 RAD52 (0.82) CASP6ACHEBCHEAPPRAD52
SCHEMBL16280669 0.81 ACHE (1.00) CASP6ACHEBCHEAPPRAD52
SCHEMBL8544714 0.80 APP (0.72) CASP6ACHEBCHEAPPRAD52
SCHEMBL16280679 0.80 ACHE (0.80) CASP6ACHEBCHEAPPRAD52

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-20150080409-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA (A FLORIDA NON-PROFIT CORPORATION) (US) 2015-03-19 US disclosed
US-20150080409-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA (A FLORIDA NON-PROFIT CORPORATION) (US) 2015-03-19 US disclosed
US-8906918-B1 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (A FLORIDA NON-PROFIT CORPORATION) (US) 2014-12-09 US disclosed
US-8906918-B1 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (A FLORIDA NON-PROFIT CORPORATION) (US) 2014-12-09 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-20150080409-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT SYNCRIP, HNMT, IL5 CASP6 2003/4885ACHE 8/4885BCHE 102/4885

“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.