SCHEMBL9935688

SCHEMBL9935688

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.64
MTNR1B P49286 1/20 0.64
SNCA P37840 14/20 0.62
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP14 P50281 1/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.60
PTGS1 P23219 1/20 0.60
PTGS2 P35354 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.58

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
SCHEMBL9935532 0.86 PTGS1 (0.62) MTNR1AMTNR1BSNCAMMP9MMP8
SCHEMBL9936516 0.82 HPGD (0.70) MTNR1AMTNR1BSNCAMMP9MMP8
SCHEMBL892673 0.82 MTNR1A (0.64) MTNR1AMTNR1BSNCAMMP9MMP8
SCHEMBL15496470 0.82 MTNR1A (0.64) MTNR1AMTNR1BSNCAMMP9MMP8
SCHEMBL625920 0.81 MTNR1A (0.76) MTNR1AMTNR1BSNCAMMP9MMP8
SCHEMBL892488 0.81 MTNR1A (0.65) MTNR1AMTNR1BSNCAMMP9MMP8
SCHEMBL892542 0.81 MTNR1A (0.61) MTNR1AMTNR1BSNCAMMP9MMP8
SCHEMBL892550 0.80 MTNR1A (0.64) MTNR1AMTNR1BSNCAMMP9MMP8
SCHEMBL891531 0.80 MMP9 (0.61) MTNR1AMTNR1BSNCAMMP9MMP8
SCHEMBL891884 0.80 MTNR1A (0.60) MTNR1AMTNR1BSNCAMMP9MMP8

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 MTNR1A 70/4885MTNR1B 77/4885SNCA 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.