SCHEMBL13614027

SCHEMBL13614027

C[n+]1ccc(C#Cc2ccc(N)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.64
MAPT P10636 2/20 0.54
HDAC8 Q9BY41 5/20 0.48
CHAT P28329 1/20 0.44
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PDK1 Q15118 1/20 0.36
KCNH2 Q12809 1/20 0.35
TLR9 Q9NR96 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ACHE P22303 1/20 0.35
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC22A3 O75751 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL14596519 0.85 HDAC8 (0.62) APPHDAC8CHATKCNH2ACHE
SCHEMBL864945 0.80 APP (1.00) APPMAPTMEN1KMT2APIK3CA
SCHEMBL9611200 0.80 APP (1.00) APPMAPTMEN1KMT2APIK3CA
SCHEMBL13614030 0.79 KCNH2 (0.55) HDAC8CHATKCNH2ACHE
SCHEMBL18870374 0.78 HDAC8 (0.54) HDAC8CHATACHESLC22A2SLC22A1
SCHEMBL13614108 0.77 HDAC8 (0.61) HDAC8CHATKCNH2
SCHEMBL13614028 0.77 APP (0.52) APPMAPTHDAC8CHATMEN1
SCHEMBL13614111 0.77 HDAC8 (0.61) HDAC8CHATKCNH2RAB9AACHE
SCHEMBL12531499 0.77
SCHEMBL4067660 0.76 APP (0.60) APPMAPTHDAC8CHATMEN1

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-7611546-B2 Composition comprising at least one substituted acetylenic carbocyanin derivative, process for treating keratin fibres using it, and device therefor L'OREAL S.A. (FR) 2009-11-03 US disclosed
US-7611546-B2 Composition comprising at least one substituted acetylenic carbocyanin derivative, process for treating keratin fibres using it, and device therefor L'OREAL S.A. (FR) 2009-11-03 US disclosed
US-20090064423-A1 Composition comprising at least one substituted acetylenic carbocyanin derivative, process for treating keratin fibres using it, and device therefor L'OREAL S.A. (FR) 2009-03-12 US disclosed
US-20090064423-A1 Composition comprising at least one substituted acetylenic carbocyanin derivative, process for treating keratin fibres using it, and device therefor L'OREAL S.A. (FR) 2009-03-12 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-20090064423-A1 Composition comprising at least one substituted acetylenic carbocyanin derivative, process for treating keratin fibres using it, and device therefor KRT18, HADHB, KAT7 APP 2158/4885MAPT 1412/4885HDAC8 608/4885

“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.