SCHEMBL10046433

SCHEMBL10046433

CC(C)C(=O)Nc1cccc(NC(=O)C(C)C)c1C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.58
TP53 P04637 2/20 0.58
CETP P11597 1/20 0.54
MDM2 Q00987 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 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
SCHEMBL3438879 0.91 CETP (0.50) MDM4TP53CETPMDM2L3MBTL1
SCHEMBL10073852 0.83 TSHR (0.43) MDM4TP53CETPL3MBTL1LMNA
SCHEMBL12666623 0.80 ALDH1A1 (0.66) MDM4TP53CETPMDM2L3MBTL1
SCHEMBL20761408 0.80 MDM4 (0.77) MDM4TP53CETPMDM2L3MBTL1
SCHEMBL16330054 0.79 TP53 (0.63) MDM4TP53CETPMDM2L3MBTL1
SCHEMBL11737069 0.79 MDM4 (0.63) MDM4TP53CETPMDM2L3MBTL1
SCHEMBL10046434 0.79 SMN1; SMN2 (0.58) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL3438878 0.77 CETP (0.58) TP53CETPL3MBTL1LMNAKMT2A
SCHEMBL3438875 0.76 TDP1 (0.39) MDM4TP53CETPMDM2L3MBTL1
SCHEMBL12284605 0.76 TP53 (0.59) MDM4TP53CETPMDM2L3MBTL1

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-20120077990-A1 Alkene Aziridination NATIONAL SCIENCE FOUNDATION 2012-03-29 US disclosed
US-20120077990-A1 Alkene Aziridination NATIONAL SCIENCE FOUNDATION 2012-03-29 US disclosed
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 US disclosed
US-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES NATIONAL SCIENCE FOUNDATION 2011-08-25 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 (3 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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA MDM4 928/4885TP53 3216/4885CETP 2463/4885
US-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES CYCS, CCNH, CBR3 MDM4 3007/4885TP53 4399/4885CETP 3963/4885
US-20120077990-A1 Alkene Aziridination AZI2, PPOX, GLI2 MDM4 1576/4885TP53 1974/4885CETP 4648/4885

“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.