SCHEMBL2746362

SCHEMBL2746362

CC(C)(N)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
ALDH1A1 P00352 4/20 0.61
GAA P10253 1/20 0.60
EPHX2 P34913 2/20 0.57
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50

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
SCHEMBL10266358 0.85 KMT2A (0.62) KMT2AMEN1ALDH1A1GAAEPHX2
SCHEMBL4703823 0.81 MEN1 (0.63) KMT2AMEN1ALDH1A1GAAEPHX2
SCHEMBL2746361 0.81 KMT2A (0.63) KMT2AMEN1ALDH1A1GAAEPHX2
SCHEMBL14365707 0.80 MEN1 (0.69) KMT2AMEN1ALDH1A1EPHX2POLB
SCHEMBL2746762 0.78 EPHX2 (0.49) ALDH1A1GAAEPHX2L3MBTL1LMNA
SCHEMBL8091601 0.76 EPHX2 (0.88) KMT2AMEN1ALDH1A1GAAEPHX2
SCHEMBL28254887 0.76 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1GAAEPHX2
SCHEMBL14618817 0.76 MEN1 (0.62) KMT2AMEN1ALDH1A1GAAEPHX2
SCHEMBL2747495 0.74 EPHX2 (0.55) ALDH1A1GAAEPHX2L3MBTL1TSHR
SCHEMBL1714125 0.74 MEN1 (0.64) KMT2AMEN1ALDH1A1EPHX2POLB

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-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 KMT2A 2255/4885MEN1 4298/4885ALDH1A1 3505/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 KMT2A 2206/4885MEN1 3984/4885ALDH1A1 4132/4885

“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.