SCHEMBL419724

SCHEMBL419724

N#Cc1ccc(CNC(=O)C=C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GPR6 P46095 1/20 0.44
MAPT P10636 3/20 0.44
EPHX2 P34913 2/20 0.43
PKM P14618 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 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
SCHEMBL424734 0.90 MEN1 (0.51) KMT2AMEN1MAPTEPHX2PKM
SCHEMBL421892 0.89 PKM (0.52) KMT2AMEN1MAPTEPHX2PKM
SCHEMBL10193861 0.86 ALDH1A1 (0.46) KMT2AMAPTEPHX2PKMCA12
SCHEMBL10157312 0.86 MAPT (0.45) KMT2AMEN1MAPTEPHX2PKM
SCHEMBL421317 0.84 MEN1 (0.46) KMT2AMEN1GPR6EPHX2PKM
SCHEMBL422353 0.83 NAMPT (0.58) KMT2AALDH1A1LMNA
SCHEMBL422000 0.82 EPHX2 (0.48) KMT2AMEN1MAPTEPHX2PKM
SCHEMBL10157300 0.82 EPHX2 (0.48) KMT2AMEN1EPHX2PKMALDH1A1
SCHEMBL425024 0.81 EGLN1 (0.53) KMT2AMEN1EPHX2HDAC3HDAC4
SCHEMBL426609 0.80 EPHX2 (0.51) KMT2AMEN1MAPTEPHX2PKM

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 6 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
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
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 KMT2A 4025/4885MEN1 2796/4885GPR6 1655/4885

“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.