SCHEMBL3420952

SCHEMBL3420952

CN(C)C(=O)CCc1c[nH]c(-c2cccs2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
GRIN2B Q13224 3/20 0.38
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
FFAR1 O14842 2/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
RECQL P46063 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
EGFR P00533 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
SCHEMBL3411553 0.82 KMT2A (0.49) KMT2AMEN1L3MBTL1HDAC3HDAC1
SCHEMBL3417952 0.79 KMT2A (0.44) KMT2AMEN1L3MBTL1FFAR1RAB9A
SCHEMBL3416058 0.77 HTR1D (0.46) HTR1DHTR1B
SCHEMBL3415090 0.73 HSD17B10 (0.38) KMT2AMEN1FFAR1CYP4F2CYP4A11
SCHEMBL9908181 0.72 CHRM2 (0.38) KMT2AMEN1L3MBTL1HTR1DHTR1B
SCHEMBL3420940 0.72 CHEK1 (0.44) MAPTRAB9ASMN1; SMN2CYP4F2CYP4A11
SCHEMBL28391134 0.70 POLB (0.54) TRPM8MAPTRAB9ASMN1; SMN2
SCHEMBL31499190 0.67 KMT2A (0.44) KMT2AMEN1L3MBTL1MAPTRAB9A
SCHEMBL3366949 0.65 KMT2A (0.70) KMT2AMEN1L3MBTL1FFAR1HDAC3
SCHEMBL3417813 0.65 ALDH1A1 (0.39) KMT2AL3MBTL1FFAR1MAPTRAB9A

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 3873/4885GRIN2B 4636/4885MEN1 4213/4885

“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.