SCHEMBL423292

SCHEMBL423292

O=C(C=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCC1CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.47
CNR1 P21554 1/20 0.47
ALDH1A1 P00352 4/20 0.47
PKM P14618 1/20 0.47
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP5 P45974 1/20 0.45
MAPT P10636 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL426646 0.87 FBP1 (0.54) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL426604 0.86 GAA (0.49) KMT2AMEN1ALDH1A1L3MBTL1USP5
SCHEMBL426609 0.84 EPHX2 (0.51) SMN1; SMN2KMT2AMEN1ALDH1A1PKM
SCHEMBL16257003 0.84 TGM2 (0.43) SMN1; SMN2KMT2AMEN1ALDH1A1PKM
SCHEMBL422776 0.81 L3MBTL1 (0.49) LMNASMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL423896 0.78 CNR1 (0.51) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL421905 0.78 EPHX2 (0.47) LMNASMN1; SMN2KDM4EHTTKMT2A
SCHEMBL25442348 0.77 LMNA (0.57) LMNASMN1; SMN2KDM4EHTTKMT2A
SCHEMBL423618 0.76 CNR1 (0.42) CNR1ALDH1A1L3MBTL1USP5
SCHEMBL13548569 0.75 LMNA (0.55) LMNASMN1; SMN2KDM4EHTTKMT2A

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 10 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
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 LMNA 2615/4885SMN1; SMN2 2423/4885KDM4E 4485/4885

“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.