SCHEMBL8410477

SCHEMBL8410477

Cc1cccc(NC(=O)NCc2ccc(CN3C(=N)NC(C)(CC(C)C)C3=O)cc2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
BACE1 P56817 2/20 0.39
LMNA P02545 3/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CLK4 Q9HAZ1 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
SCHEMBL7515955 0.92 MEN1 (0.43) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL7517503 0.92 KDM4E (0.43) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL11932970 0.89 KMT2A (0.54) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL7517930 0.89 LMNA (0.42) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL7523239 0.88 MAPT (0.43) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL7517813 0.86 KDM4E (0.51) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL10305490 0.86 MAPT (0.41) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL7522680 0.85 LMNA (0.47) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL14644351 0.85 MEN1 (0.41) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL10144022 0.84 KMT2A (0.44) KMT2AMEN1RAB9AMAPTTP53

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 4299/4885RAB9A 1135/4885

“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.