SCHEMBL861074

SCHEMBL861074

c1ccc2[nH]c(Nn3cccn3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.49
NPC1 O15118 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 1/20 0.48
TP53 P04637 2/20 0.46
CYP3A4 P08684 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 4/20 0.45
MAPT P10636 4/20 0.44
PKM P14618 3/20 0.44
MAOB P27338 1/20 0.44
ADORA2A P29274 1/20 0.44
BCHE P06276 1/20 0.44
TRPC3 Q13507 1/20 0.44

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
SCHEMBL1535710 0.73 BCHE (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL28050241 0.73 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL1495342 0.72 BCHE (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL28728369 0.71 RAB9A (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL546101 0.70 EGLN1 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL29502497 0.70 LMNA (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL2016737 0.70 LMNA (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL29647608 0.70 CYP3A4 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL14380967 0.70 CYP3A4 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL1488094 0.70 BCHE (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
EP-1802303-B1 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD BIOMEDICAL INST (US) 2011-11-02 EP disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
EP-1802303-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2007-07-04 EP disclosed
WO-2006034003-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2006-03-30 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT RAB9A 912/4885NPC1 2064/4885SMN1; SMN2 41/4885

“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.