SCHEMBL13345375

SCHEMBL13345375

COC(=O)CC(O)C(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC2 Q92769 2/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KLK7 P49862 5/20 0.47
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
HSP90AA1 P07900 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL13345404 1.00 MEN1 (0.49) MEN1KMT2APOLBL3MBTL1HDAC2
SCHEMBL13345396 1.00 MEN1 (0.49) MEN1KMT2APOLBL3MBTL1HDAC2
SCHEMBL11569906 0.83 MME (0.56) MEN1KMT2APOLBL3MBTL1MAPT
SCHEMBL10791680 0.82 LTA4H (0.53) MEN1KMT2APOLBL3MBTL1MAPT
SCHEMBL13345388 0.82 HDAC2 (0.57) MEN1KMT2APOLBL3MBTL1HDAC2
SCHEMBL29006058 0.82 HDAC2 (0.57) MEN1KMT2APOLBL3MBTL1HDAC2
SCHEMBL17548799 0.81 MAPT (0.53) MEN1KMT2APOLBHDAC2MAPT
SCHEMBL31146150 0.81 ALDH1A1 (0.53) MEN1KMT2APOLBL3MBTL1MAPT
SCHEMBL8151057 0.80 HDAC2 (0.67) HDAC2ALDH1A1LMNA
SCHEMBL4747179 0.79 POLB (0.50) MEN1KMT2APOLBL3MBTL1HDAC2

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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS HDAC3, HCCS, CCNH MEN1 4354/4885KMT2A 1274/4885POLB 2060/4885

“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.