SCHEMBL3438879

SCHEMBL3438879

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.50
MDM4 O15151 2/20 0.49
TP53 P04637 2/20 0.49
MDM2 Q00987 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SLC40A1 Q9NP59 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL10046433 0.91 MDM4 (0.58) CETPMDM4TP53MDM2L3MBTL1
SCHEMBL3438875 0.80 TDP1 (0.39) CETPMDM4TP53MDM2L3MBTL1
SCHEMBL10073852 0.75 TSHR (0.43) CETPMDM4TP53L3MBTL1LMNA
SCHEMBL12666623 0.72 ALDH1A1 (0.66) CETPMDM4TP53MDM2L3MBTL1
SCHEMBL20761408 0.72 MDM4 (0.77) CETPMDM4TP53MDM2L3MBTL1
SCHEMBL3438880 0.71 HTT (0.50) LMNAKMT2AALDH1A1MEN1MAPT
SCHEMBL11737069 0.71 MDM4 (0.63) CETPMDM4TP53MDM2L3MBTL1
SCHEMBL10046434 0.71 SMN1; SMN2 (0.58) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL16330054 0.71 TP53 (0.63) CETPMDM4TP53MDM2L3MBTL1
SCHEMBL3438878 0.70 CETP (0.58) CETPTP53L3MBTL1LMNAKMT2A

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-20120101271-A1 DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES NATIONAL SCIENCE FOUNDATION 2012-04-26 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-20120101271-A1 DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES DOHH, AOC1, ESD CETP 4882/4885MDM4 1994/4885TP53 3771/4885

“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.