SCHEMBL3417952

SCHEMBL3417952

CN(C)C(=O)CCc1c[nH]c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
NR4A1 P22736 2/20 0.44
NR4A2 P43354 2/20 0.44
NR4A3 Q92570 2/20 0.44
FFAR1 O14842 2/20 0.42
MEN1 O00255 2/20 0.41
CDK4 P11802 1/20 0.40
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHEK1 O14757 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX5 P09917 2/20 0.37
DAO P14920 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3420940 0.84 CHEK1 (0.44) HTTCHEK1NPC1RAB9AALOX5
SCHEMBL3419311 0.81 CYP4F2 (0.49) ALOX5CYP1A2CYP2C9
SCHEMBL3420952 0.79 KMT2A (0.40) KMT2AFFAR1MEN1EGFRSRC
SCHEMBL3415090 0.77 HSD17B10 (0.38) KMT2AFFAR1MEN1CDK4EGFR
SCHEMBL7088866 0.77 FFAR1 (0.65) KMT2ANR4A1NR4A2NR4A3FFAR1
SCHEMBL1156658 0.77 NPC1 (0.46) KMT2AMEN1CDK4NPC1RAB9A
SCHEMBL3366949 0.76 KMT2A (0.70) KMT2AFFAR1MEN1HTTL3MBTL1
SCHEMBL9908208 0.75 NPC1 (0.39) KMT2AMEN1NPC1RAB9ADAO
SCHEMBL3414148 0.75 SIGMAR1 (0.49)
Hydrochloric Acid SCHEMBL3136984 0.74 KMT2A (0.68) KMT2AFFAR1MEN1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140186875-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSIS MONTANA STATE UNIVERSITY (US) 2014-07-03 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
EP-2164997-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES Montana State University (US) 2010-03-24 EP disclosed
WO-2009005871-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2009-01-08 WO disclosed
WO-2009005871-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2009-01-08 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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES PTMS, CHAMP1, RAB5IF KMT2A 3873/4885NR4A1 4609/4885NR4A2 4532/4885

“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.