SCHEMBL5907461

SCHEMBL5907461

CC(=O)N(C)C.CCOC(C)OCC

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
THRB P10828 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ACACB O00763 1/20 0.31
MAPT P10636 1/20 0.31

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
Butane SCHEMBL3151311 0.96 LMNA (0.52) LMNAALDH1A1HSD17B10CHRNB2CHRNA4
Acetone SCHEMBL590699 0.85 LMNA (0.71) LMNAALDH1A1HSD17B10THRB
Acetic Acid SCHEMBL23907968 0.82 LMNA (0.67) LMNAALDH1A1HSD17B10THRB
Butanedione SCHEMBL4368674 0.82 LMNA (0.67) LMNAALDH1A1HSD17B10THRB
Acetic Acid SCHEMBL222953 0.82 LMNA (0.67) LMNAALDH1A1HSD17B10THRB
SCHEMBL6848043 0.80 LMNA (0.50) LMNAALDH1A1HSD17B10
Diamide SCHEMBL3943566 0.80 ALDH1A1 (0.54) LMNAALDH1A1HSD17B10CHRNB2CHRNA4
Butane SCHEMBL3150354 0.80 LMNA (0.50) LMNAALDH1A1CHRNB2CHRNA4CHRNB4
Butanone SCHEMBL3163812 0.80 LMNA (0.63) LMNAALDH1A1HSD17B10THRB
Acetic Acid SCHEMBL8529879 0.80 LMNA (0.63) LMNAALDH1A1HSD17B10THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058329-A1 Pyrazole inhibitors of the transforming growth factor SMITHKLINE BEECHAM CORPORATION 2006-03-16 US disclosed
US-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors DODIC NERINA 2005-11-03 US disclosed
EP-1554268-A1 PYRAZOLE INHIBITORS OF THE TRANSFORMING GROWTH FACTOR SMITHKLINE BEECHAM CORPORATION (US) 2005-07-20 EP disclosed
WO-2004016606-A1 PYRAZOLE INHIBITORS OF THE TRANSFORMING GROWTH FACTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-02-26 WO disclosed
US-4602013-A 3,5-DIAMINO-6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZINE, ANTICONVULSANTS ORTHO PHARMACEUTICAL CORPORATION (US) 1986-07-22 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 (2 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-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors SMAD2, SMAD3, ALK LMNA 972/4885ALDH1A1 3370/4885HSD17B10 3888/4885
US-20060058329-A1 Pyrazole inhibitors of the transforming growth factor SMAD3, SMAD2, TGFBR1 LMNA 1917/4885ALDH1A1 3456/4885HSD17B10 4019/4885

“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.