SCHEMBL3216494

SCHEMBL3216494

COC(=O)c1cccc(CN2C(=O)NC(C)(c3cccc(Br)c3)C2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.58
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HDAC6 Q9UBN7 1/20 0.52
MAPT P10636 5/20 0.50
BACE1 P56817 1/20 0.47
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ABHD6 Q9BV23 1/20 0.44
MAPK8 P45983 1/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
THRB P10828 1/20 0.43
MAPK10 P53779 1/20 0.43
TRPA1 O75762 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
SCHEMBL8193641 0.86 HDAC6 (0.48) RXFP1KMT2AMEN1HDAC6MAPT
SCHEMBL3203228 0.85 CYP4F2 (0.47) RXFP1KMT2AMEN1HDAC6MAPT
SCHEMBL20302731 0.78 MAPT (0.47) RXFP1KMT2AMEN1MAPTBACE1
SCHEMBL20303195 0.78 MAPT (0.47) RXFP1KMT2AMEN1MAPTBACE1
SCHEMBL7563909 0.76 RXFP1 (0.45) RXFP1KMT2AMEN1HDAC6BACE1
SCHEMBL2970444 0.75 RXFP1 (0.43) RXFP1KMT2AMEN1HDAC6MAPT
SCHEMBL20302834 0.75 MAPT (0.54) KMT2AMEN1MAPTL3MBTL1ABHD6
SCHEMBL12410375 0.73 RXFP1 (0.41) RXFP1KMT2AMEN1HDAC6MAPT
SCHEMBL7539492 0.73 RXFP1 (0.41) RXFP1KMT2AMEN1BACE1NPC1
SCHEMBL7511170 0.71 MAPT (0.48) MAPTHTTL3MBTL1ABHD6POLB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902057-B1 MACROCYCLIC HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2013-10-23 EP disclosed
EP-1902057-B1 MACROCYCLIC HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2013-10-23 EP disclosed
US-8557798-B2 Macrocyclic heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-8557798-B2 Macrocyclic heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-8557798-B2 Macrocyclic heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-7812013-B2 Macrocyclic heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2010-10-12 US disclosed
US-7812013-B2 Macrocyclic heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2010-10-12 US disclosed
US-7812013-B2 Macrocyclic heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2010-10-12 US disclosed
US-20100063121-A1 Macrocyclic Heterocyclic Aspartyl Protease Inhibitors SCHERING CORPORATION 2010-03-11 US disclosed
US-20100063121-A1 Macrocyclic Heterocyclic Aspartyl Protease Inhibitors SCHERING CORPORATION 2010-03-11 US disclosed
US-20100063121-A1 Macrocyclic Heterocyclic Aspartyl Protease Inhibitors SCHERING CORPORATION 2010-03-11 US disclosed
US-20060281729-A1 Macrocyclic heterocyclic aspartyl protease inhibitors SCHERING CORPORATION 2006-12-14 US disclosed
US-20060281729-A1 Macrocyclic heterocyclic aspartyl protease inhibitors SCHERING CORPORATION 2006-12-14 US disclosed
US-20060281729-A1 Macrocyclic heterocyclic aspartyl protease inhibitors SCHERING CORPORATION 2006-12-14 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 (2 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-20100063121-A1 Macrocyclic Heterocyclic Aspartyl Protease Inhibitors CHRM1, CHRM2, CHRM5 RXFP1 641/4885KMT2A 1989/4885MEN1 965/4885
US-20060281729-A1 Macrocyclic heterocyclic aspartyl protease inhibitors CHRM1, CHRM2, CHRM5 RXFP1 641/4885KMT2A 1989/4885MEN1 965/4885

“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.