SCHEMBL1753693

SCHEMBL1753693

CC(=O)C(C(C)=O)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
F10 P00742 1/20 0.47
HDAC1 Q13547 6/20 0.45
NAMPT P43490 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TOP1 P11387 1/20 0.42
ELANE P08246 1/20 0.42
PRTN3 P24158 1/20 0.42
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL30944753 0.86 F10 (0.48) MEN1KMT2AF10HDAC1NAMPT
SCHEMBL30944747 0.86 F10 (0.48) MEN1KMT2AF10HDAC1NAMPT
SCHEMBL27406952 0.86 F10 (0.48) MEN1KMT2AF10HDAC1NAMPT
SCHEMBL1753682 0.85 HDAC1 (0.63) HDAC1NAMPTRXFP1HDAC3HDAC2
SCHEMBL13949629 0.85 MEN1 (0.54) MEN1KMT2AF10HDAC1NAMPT
SCHEMBL2829176 0.83 POLB (0.56) MEN1KMT2AF10HDAC1NAMPT
SCHEMBL12934079 0.82 F10 (0.45) MEN1KMT2AF10HDAC1NAMPT
SCHEMBL12934078 0.82 F10 (0.45) MEN1KMT2AF10HDAC1NAMPT
SCHEMBL1066788 0.82 F10 (0.53) MEN1KMT2AF10HDAC1NAMPT
SCHEMBL12772560 0.82 NPC1 (0.57) MEN1KMT2AF10HDAC1NAMPT

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-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 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-20100160327-A1 Modified Malonate Derivatives ME2, ME3, ME1 MEN1 1043/4885KMT2A 132/4885F10 4279/4885

“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.