SCHEMBL1726877

SCHEMBL1726877

O=C(CCCCCCCCCCCCCCO)NCCc1c[nH]c2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
MTNR1A P48039 4/20 0.80
AANAT Q16613 1/20 0.67
MAPT P10636 2/20 0.66
UBE2N P61088 1/20 0.66
ALDH1A1 P00352 1/20 0.64
LMNA P02545 2/20 0.63
CYP1A2 P05177 1/20 0.62
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
BLM P54132 1/20 0.62
GFER P55789 1/20 0.62
TRPV1 Q8NER1 3/20 0.61
MTNR1B P49286 2/20 0.60
MMP9 P14780 1/20 0.60

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
SCHEMBL2808670 0.90 MEN1 (0.81) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL1233177 0.90 MEN1 (0.81) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL12672064 0.90 MEN1 (0.81) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL1727281 0.89 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL1726070 0.89 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL1066221 0.89 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL1063483 0.89 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL1724741 0.89 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL22411433 0.89 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATMAPT
SCHEMBL3806536 0.89 MTNR1A (1.00) MEN1KMT2AMTNR1AAANATMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614246-B2 Indole derivatives for treating neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-12-24 US disclosed
EP-2403830-A2 INDOLE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES Centre National de la Recherche Scientifique (CNRS) (FR) 2012-01-11 EP disclosed
US-20110319387-A1 INDOLE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-12-29 US disclosed
WO-2010100133-A2 INDOLE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-09-10 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-20110319387-A1 INDOLE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES SNCA, TPH1, HCRTR1 MEN1 862/4885KMT2A 2307/4885MTNR1A 20/4885

“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.