SCHEMBL9935532

SCHEMBL9935532

O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(-c2ccccc2)nn1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62
SNCA P37840 14/20 0.61
HPGD P15428 1/20 0.58
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
MAPT P10636 2/20 0.57
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP14 P50281 1/20 0.55

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
SCHEMBL9936516 0.91 HPGD (0.70) PTGS1PTGS2SNCAHPGDMTNR1A
SCHEMBL9935688 0.86 MTNR1A (0.64) PTGS1PTGS2SNCAHPGDMTNR1A
SCHEMBL892236 0.82 SNCA (0.61) PTGS1PTGS2SNCAHPGDMTNR1A
SCHEMBL9942691 0.82 MAPT (0.80) PTGS1PTGS2SNCAMTNR1AMTNR1B
SCHEMBL892654 0.82 SNCA (0.63) PTGS1PTGS2SNCAHPGDMTNR1A
SCHEMBL9936475 0.81 SNCA (0.80) SNCAMAPT
SCHEMBL9936376 0.81 SNCA (0.50) PTGS1PTGS2SNCAHPGDMTNR1A
SCHEMBL892386 0.81 SNCA (0.61) PTGS1PTGS2SNCAHPGDMTNR1A
SCHEMBL9935763 0.81 SNCA (0.79) SNCAHPGDMAPT
SCHEMBL892905 0.80 SNCA (0.58) PTGS1PTGS2SNCAHPGDMTNR1A

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 8 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-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
US-20130289033-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND (BE) 2013-10-31 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 PTGS1 2780/4885PTGS2 3820/4885SNCA 1/4885

“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.