SCHEMBL2759079

SCHEMBL2759079

CCCN1CCCc2cc(C(C)=O)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 3/20 0.62
KMT2A Q03164 3/20 0.62
TP53 P04637 3/20 0.62
GAA P10253 2/20 0.62
KDM4E B2RXH2 2/20 0.62
LMNA P02545 1/20 0.62
CASP1 P29466 1/20 0.62
HTT P42858 1/20 0.62
CASP7 P55210 1/20 0.62
SMAD3 P84022 1/20 0.62
HSD17B10 Q99714 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HDAC1 Q13547 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 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
SCHEMBL18593240 0.89 GAA (0.54) MAPTMEN1ALDH1A1KMT2ATP53
SCHEMBL2759073 0.85 TP53 (0.58) MAPTMEN1ALDH1A1KMT2ATP53
SCHEMBL4929256 0.83 ALDH1A1 (0.57) MAPTMEN1ALDH1A1KMT2ATP53
SCHEMBL845803 0.81 ALDH1A1 (0.56) MAPTMEN1ALDH1A1KMT2ATP53
SCHEMBL846838 0.79 MAPT (0.51) MAPTMEN1ALDH1A1KMT2ATP53
SCHEMBL10472029 0.79 MEN1 (0.57) MAPTMEN1ALDH1A1KMT2ATP53
SCHEMBL30197112 0.79 ALDH1A1 (0.53) MAPTMEN1ALDH1A1KMT2ATP53
SCHEMBL20178649 0.78 ALDH1A1 (0.52) MAPTMEN1ALDH1A1KMT2ATP53
SCHEMBL1310717 0.78 HDAC1 (0.49) MAPTMEN1ALDH1A1KMT2ATP53
SCHEMBL18593246 0.77 ACHE (0.49) MAPTMEN1KMT2ATP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296343-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. 2014-10-02 US disclosed
US-20120004310-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. 2012-01-05 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-20120004310-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS BDNF, NTRK2, NGF MAPT 178/4885MEN1 3362/4885ALDH1A1 4203/4885
US-20140296343-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS BDNF, NTRK2, NGF MAPT 178/4885MEN1 3362/4885ALDH1A1 4203/4885

“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.