SCHEMBL4564967

SCHEMBL4564967

CCCCCc1ncccc1C=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
TRPV1 Q8NER1 4/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
IDO1 P14902 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL250162 0.95 TRIM24 (0.46) L3MBTL1TDP1TRIM24TRIM33NPC1
SCHEMBL26143989 0.88 TRIM24 (0.48) L3MBTL1TDP1TRIM24TRIM33NPC1
SCHEMBL23505874 0.87 TDP1 (0.45) L3MBTL1TDP1TRIM24TRIM33KCNH2
SCHEMBL9502638 0.81 KDM4E (0.44) TRIM24TRIM33KMT2AKDM4EMEN1
SCHEMBL9768756 0.80 TRIM24 (0.52) L3MBTL1TDP1TRIM24TRIM33NPC1
SCHEMBL2903484 0.78 L3MBTL1 (0.39) L3MBTL1TDP1NPC1RAB9AKMT2A
SCHEMBL31190150 0.77 TDP1 (0.49) L3MBTL1TDP1KCNH2TRPV1PPARA
SCHEMBL28876834 0.76 TDP1 (0.47) L3MBTL1TDP1KCNH2TRPV1PPARA
SCHEMBL28219671 0.76 TDP1 (0.47) L3MBTL1TDP1KCNH2TRPV1PPARA
SCHEMBL461554 0.75 TDP1 (0.50) L3MBTL1TDP1KCNH2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528256-B2 Process for the preparation of nicotinaldehydes MERCK PATENT GMBH (DE) 2009-05-05 US disclosed
US-20060199965-A1 Process for the preparation of nicotinaldehydes MERCK PATENT GMBH (DE) 2006-09-07 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-20060199965-A1 Process for the preparation of nicotinaldehydes NAMPT, NAPRT, NNMT L3MBTL1 4878/4885TDP1 3319/4885TRIM24 2756/4885

“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.