SCHEMBL8412224

SCHEMBL8412224

CCOCCN(C)C(=O)c1cccc(CN2C(=N)NC(c3ccccc3)(c3ccccc3)C2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 4/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
CNR1 P21554 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7567536 0.88 KMT2A (0.41) KMT2AMEN1L3MBTL1POLBCNR1
SCHEMBL7547753 0.86 KMT2A (0.53) KMT2AMEN1L3MBTL1POLBCNR1
SCHEMBL7559571 0.85 KMT2A (0.45) KMT2AMEN1POLBCNR1
Trifluoroacetic Acid SCHEMBL20302755 0.83 MLYCD (0.45) KMT2AMEN1L3MBTL1POLBCNR1
SCHEMBL7541990 0.83 HTT (0.46) KMT2AMEN1L3MBTL1POLBCNR1
SCHEMBL7565742 0.83 IDO1 (0.45) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL7541797 0.82 NPC1 (0.41) KMT2AMEN1L3MBTL1POLBNPC1
SCHEMBL7540533 0.82 PARP1 (0.42) KMT2AMEN1POLBCNR1TP53
SCHEMBL7543896 0.82 TP53 (0.47) L3MBTL1POLBNPC1RAB9ATP53
SCHEMBL20312544 0.81 KMT2A (0.50) KMT2AMEN1POLBTP53

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-7763609-B2 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION (US) 2010-07-27 US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 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-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example CTSZ, CTSL, PRSS1 KMT2A 4715/4885MEN1 4299/4885L3MBTL1 570/4885

“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.