SCHEMBL3415090

SCHEMBL3415090

Cc1cc(CCC(=O)N(C)C)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.38
NOTUM Q6P988 1/20 0.37
FFAR1 O14842 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
ALDH1A1 P00352 1/20 0.35
DAO P14920 1/20 0.35
MEN1 O00255 1/20 0.35
CDK4 P11802 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CHEK1 O14757 2/20 0.33
F10 P00742 1/20 0.33
IGF1R P08069 1/20 0.33
GAA P10253 1/20 0.33
CCR9 P51686 1/20 0.33

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
SCHEMBL3415097 0.79 NPSR1 (0.48) NOTUMFFAR1
SCHEMBL3415082 0.78 CYP4F2 (0.46) HSD17B10FFAR1ALDH1A1CYP4F2CYP4A11
SCHEMBL3417813 0.77 ALDH1A1 (0.39) HSD17B10KMT2AFFAR1EGFRSRC
SCHEMBL3417952 0.77 KMT2A (0.44) HSD17B10KMT2AFFAR1EGFRSRC
SCHEMBL3417098 0.74 ALDH1A1 (0.44) HSD17B10ALDH1A1
SCHEMBL19193177 0.74 FFAR1 (0.41) HSD17B10KMT2AFFAR1EGFRSRC
SCHEMBL3420940 0.73 CHEK1 (0.44) HSD17B10ALDH1A1CYP4F2CYP4A11CHEK1
SCHEMBL3420952 0.73 KMT2A (0.40) KMT2AFFAR1EGFRSRCMEN1
SCHEMBL7797805 0.72 FFAR1 (0.51) KMT2AFFAR1ALDH1A1CYP4F2CYP4A11
SCHEMBL19193176 0.71 FFAR1 (0.42) HSD17B10KMT2AFFAR1ALDH1A1MEN1

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 HSD17B10 3088/4885KMT2A 3873/4885NOTUM 485/4885

“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.