SCHEMBL9935308

SCHEMBL9935308

O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccccc1I

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SNCA P37840 11/20 0.74
PTGS1 P23219 3/20 0.74
PTGS2 P35354 2/20 0.74
MAPT P10636 1/20 0.66
MTNR1A P48039 1/20 0.65
MTNR1B P49286 1/20 0.65
NPC1 O15118 1/20 0.63
POLB P06746 1/20 0.63
RAB9A P51151 1/20 0.63
MMP9 P14780 1/20 0.63
MMP8 P22894 1/20 0.63
MMP14 P50281 1/20 0.63
HPGD P15428 1/20 0.62
TRPV1 Q8NER1 1/20 0.62
TSHR P16473 1/20 0.61

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
SCHEMBL28651815 0.88 SNCA (0.72) SNCAPTGS1PTGS2MAPTMTNR1A
SCHEMBL4327005 0.86 MTNR1A (0.65) SNCAPTGS1PTGS2MTNR1AMTNR1B
SCHEMBL28412518 0.86 PTGS1 (0.76) SNCAPTGS1PTGS2HPGD
SCHEMBL9935548 0.86 MAPT (0.71) SNCAPTGS1PTGS2MAPTMTNR1A
SCHEMBL9936954 0.86 MAPT (0.84) SNCAPTGS1PTGS2MAPTMTNR1A
SCHEMBL9942691 0.86 MAPT (0.80) SNCAPTGS1PTGS2MAPTMTNR1A
SCHEMBL9939388 0.85 SNCA (1.00) SNCAPTGS1PTGS2
SCHEMBL9935716 0.84 MAPT (0.69) SNCAPTGS1PTGS2MAPTMTNR1A
SCHEMBL9936269 0.84 MAPT (0.75) SNCAPTGS1PTGS2MAPTMTNR1A
SCHEMBL9936737 0.84 SNCA (0.70) SNCAPTGS1PTGS2MAPTMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651887-B1 N-(2-(5-substituted-1H-indol-3-yl)ethyl)biphenyl-4-carboxamide derivatives and related compounds as Tau-aggregation induced toxicity inhibitors for the treatment of neurodegenerative disorders UNIV LEUVEN KATH (BE) 2016-08-24 EP disclosed
US-9284271-B2 Compounds for the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2016-03-15 US disclosed
US-20130289033-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND (BE) 2013-10-31 US disclosed
EP-2651887-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2013-10-23 EP disclosed
WO-2012080220-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-21 WO 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-20130289033-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, PSEN1 SNCA 1/4885PTGS1 2780/4885PTGS2 3820/4885

“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.