SCHEMBL4728398

SCHEMBL4728398

COc1cc(NCCCC(C)N)c2nc(C)cc(C)c2c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSP90AA1 P07900 4/20 0.46
HSP90AB1 P08238 4/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP2 O95551 1/20 0.46
ALDH1A1 P00352 1/20 0.46
FGB P02675 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
NR4A1 P22736 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 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
Phosphoric Acid SCHEMBL11545454 0.94 RAD52 (0.50) MEN1KMT2AHSP90AA1HSP90AB1MAPT
SCHEMBL11547799 0.80 POLB (0.37) MEN1KMT2AHSP90AA1HSP90AB1MAPT
SCHEMBL4726086 0.75 MEN1 (0.48) MEN1KMT2AHSP90AA1HSP90AB1MAPT
SCHEMBL5315847 0.74 ESR1 (0.72) MEN1KMT2AHSP90AA1HSP90AB1MAPT
SCHEMBL6268423 0.73 MEN1 (0.47) MEN1KMT2AHSP90AA1HSP90AB1MAPT
SCHEMBL6385103 0.72 MAOA (0.58) MEN1KMT2AHSP90AA1HSP90AB1MAPT
SCHEMBL6380626 0.72 MAOA (0.69) MEN1KMT2AHSP90AA1HSP90AB1MAPT
SCHEMBL4729413 0.71 MEN1 (0.70) MEN1KMT2AHSP90AA1HSP90AB1MAPT
SCHEMBL3856314 0.71 MAOA (0.70) MEN1KMT2AHSP90AA1HSP90AB1MAPT
SCHEMBL6380203 0.70 GSK3B (0.57) MEN1KMT2AHSP90AA1HSP90AB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-4167638-A Process for production of 8-NHR quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-09-11 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN MEN1 3687/4885KMT2A 1354/4885HSP90AA1 358/4885

“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.