SCHEMBL426646

SCHEMBL426646

O=C(C=C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)NCC1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
GPR183 P32249 1/20 0.42

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
SCHEMBL423292 0.87 LMNA (0.53) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL423896 0.85 CNR1 (0.51) SMN1; SMN2KMT2AMEN1LMNAL3MBTL1
SCHEMBL426604 0.78 GAA (0.49) ALDH1A1KMT2AMEN1L3MBTL1HDAC6
SCHEMBL422776 0.78 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1LMNAL3MBTL1POLB
SCHEMBL4542446 0.77 SMN1; SMN2 (0.53) FBP1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL16257003 0.76 TGM2 (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL426609 0.76 EPHX2 (0.51) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL423618 0.75 CNR1 (0.42) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL8062169 0.74 FBP1 (0.50) FBP1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4542443 0.74 FBP1 (0.50) FBP1SMN1; SMN2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895551-B2 Acrylamide compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
US-8895551-B2 Acrylamide compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
US-8895551-B2 Acrylamide compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
EP-2414332-B1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-10-23 EP disclosed
EP-2414332-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF Shionogi & Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
WO-2010114181-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-07 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-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF TRPA1, TRPV1, CACNA1B FBP1 2701/4885SMN1; SMN2 2423/4885ALDH1A1 809/4885

“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.