SCHEMBL6844201

SCHEMBL6844201

CC(C)(C)NC(=O)c1ccc2ccccc2c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
POLB P06746 2/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NCEH1 Q6PIU2 2/20 0.46
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
RXFP1 Q9HBX9 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.44
PRNP P04156 1/20 0.44
LDHA P00338 1/20 0.44
MMP3 P08254 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL485110 0.84 CNR2 (0.44) KDM4EPOLBNCEH1MAPTRXFP1
SCHEMBL10719823 0.84 LDHA (0.59) KDM4EMEN1MAPTKMT2ARXFP1
SCHEMBL6748580 0.84 WDR5 (0.56) KDM4EPOLBMAOAMAOBMEN1
SCHEMBL161966 0.83 KDM4E (0.49) KDM4EPOLBMAOAMAOBMEN1
SCHEMBL15505756 0.82 PLK1 (0.64) KDM4EPOLBNCEH1MEN1MAPT
SCHEMBL6464894 0.80 PLK1 (0.66) KDM4EPOLBMAOAMAOBMEN1
SCHEMBL5179839 0.80 SMN1; SMN2 (0.43) KDM4EPOLBNCEH1MEN1MAPT
SCHEMBL158637 0.79 KDM4E (0.46) KDM4EPOLBMAOAMAOBMEN1
SCHEMBL16819693 0.78 KDM4E (0.54) KDM4EPOLBMAOAMAOBMEN1
SCHEMBL28645142 0.77 MEN1 (0.48) KDM4EPOLBMEN1MAPTKMT2A

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
US-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 US disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 WO 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-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease DNPEP, ASPH, CTSC KDM4E 2651/4885POLB 632/4885MAOA 1333/4885

“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.