SCHEMBL3420940

SCHEMBL3420940

COc1ccc(-c2cc(CCC(=O)N(C)C)c[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.44
ALOX5 P09917 2/20 0.44
F2RL1 P55085 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
HAT1 O14929 2/20 0.39
EP300 Q09472 2/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL3417952 0.84 KMT2A (0.44) CHEK1ALOX5RAB9ANPC1HSD17B10
SCHEMBL8566732 0.79 ALOX5 (0.66) ALOX5F2RL1NFKB1NFKB2RELA
SCHEMBL3415126 0.77 SLC6A4 (0.50) ALOX5RAB9ANPC1KDM4EMAPT
SCHEMBL28463894 0.74 KDM4E (0.45) RAB9ANPC1KDM4EALDH1A1TP53
SCHEMBL28459533 0.73 CASP3 (0.50) MAPTPTGS2
SCHEMBL3415090 0.73 HSD17B10 (0.38) CHEK1ALDH1A1HSD17B10CYP4F2CYP4A11
SCHEMBL3420952 0.72 KMT2A (0.40) RAB9ACYP4F2CYP4A11MAPTSMN1; SMN2
SCHEMBL6152523 0.70 KDM4E (0.50) RAB9ANPC1KDM4EALDH1A1TP53
SCHEMBL31329297 0.70 ALOX5 (0.82) ALOX5F2RL1ALDH1A1CYP1A2CYP3A4
SCHEMBL1156007 0.69 L3MBTL1 (0.52) RAB9ANPC1KDM4EALDH1A1TP53

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-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

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 CHEK1 2628/4885ALOX5 1902/4885F2RL1 1300/4885

“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.