SCHEMBL8192248

SCHEMBL8192248

CCCCNOOSc1cc2ccc(CN)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
DAO P14920 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7599250 0.68 CNR1 (0.44) ALOX15LMNASMN1; SMN2
SCHEMBL23482013 0.64 LOXL2 (0.46) KDM4EMAPTGAAPKMDAO
SCHEMBL29919173 0.61 GAA (0.37) ALOX15GAAPKMDAO
SCHEMBL23458917 0.61 GAA (0.37) ALOX15GAAPKMDAO
SCHEMBL3763561 0.61 LOXL2 (0.49) ALOX15KDM4EMAPTLMNASMN1; SMN2
SCHEMBL15345339 0.59 SKP2 (0.52) SMN1; SMN2
SCHEMBL15345737 0.57 SKP2 (0.50) SMN1; SMN2HPGD
SCHEMBL23482071 0.57 GAA (0.42) GAAPKMDAO
SCHEMBL23482394 0.57 CYP2A6 (0.53) MAPTGAAPKMDAO
SCHEMBL15345612 0.56 HTR2A (0.58) KDM4ELMNAHSD17B10ALDH1A1

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 ALOX15 1005/4885DRD2 1756/4885DRD3 954/4885

“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.