SCHEMBL15345980

SCHEMBL15345980

CC[Si](CC)(CC)c1[nH]c2ccccc2c1CCN=[N+]=[N-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
CHRNB2 P17787 4/20 0.36
CHRNA7 P36544 4/20 0.36
CHRNA4 P43681 4/20 0.36
HTR6 P50406 1/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
PABPC1 P11940 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
DRD2 P14416 1/20 0.35
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL15313180 0.81 KIF11 (0.43) KDM4EHTR6HTR2AHTR2CDRD2
SCHEMBL27880457 0.80 MEN1 (0.48) HTR2AHTR2CDRD2
SCHEMBL15313114 0.80 CNR1 (0.30) HTT
SCHEMBL15345941 0.78 HTR2A (0.42) ALDH1A1TSHRHTTKDM4EPOLB
SCHEMBL27810618 0.78 ALDH1A1 (0.41) ALDH1A1TSHRHTTKDM4EPOLB
SCHEMBL15313151 0.77 GRIN2D (0.31)
SCHEMBL15313134 0.75 CNR1 (0.33)
SCHEMBL733996 0.72 ALDH1A1 (0.48) ALDH1A1TSHRHTTKDM4EPOLB
SCHEMBL26996505 0.72 CHRNB2 (0.40) ALDH1A1TSHRHTTKDM4EPOLB
SCHEMBL12791833 0.69 CHRNB2 (0.38) ALDH1A1TSHRHTTKDM4EPOLB

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 3 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

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 ALDH1A1 2547/4885TSHR 2843/4885HTT 14/4885

“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.