SCHEMBL8412488

SCHEMBL8412488

CC1(C)NC(=N)N(Cc2ccc(CNC(=O)Nc3cccc(I)c3)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MTOR P42345 1/20 0.44
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TP53 P04637 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDR P35968 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL7575087 0.89 MTOR (0.58) RAB9ANPC1SMN1; SMN2MTORHPGD
SCHEMBL7560119 0.88 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MTORGAA
SCHEMBL13558987 0.88 NPC1 (0.46) RAB9ANPC1SMN1; SMN2HPGDMEN1
SCHEMBL7546996 0.86 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL7562828 0.85 LMNA (0.54) RAB9ASMN1; SMN2MTORHPGDLMNA
SCHEMBL7545889 0.84 KDM4E (0.48) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL8204929 0.82 RAB9A (0.44) RAB9ANPC1SMN1; SMN2HPGDGAA
SCHEMBL7548760 0.82 RAB9A (0.57) RAB9ANPC1MEN1KMT2A
SCHEMBL7564048 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL7547788 0.80 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-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 RAB9A 1135/4885NPC1 244/4885SMN1; SMN2 740/4885

“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.