SCHEMBL4412201

SCHEMBL4412201

CCOC(=O)CN(CCNS(=O)(=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)Cn1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CSNK2A2 P19784 2/20 0.36
CSNK2B P67870 2/20 0.36
CSNK2A1 P68400 2/20 0.36
MAPT P10636 4/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 1/20 0.34
AMY1A P0DUB6 1/20 0.33
PTPRB P23467 1/20 0.32
PTPN11 Q06124 1/20 0.32

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
SCHEMBL4416110 0.93 MAPT (0.36) RAB9ACSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL4415591 0.90 CA12 (0.37) KMT2ACYP3A4PTPRB
SCHEMBL4414309 0.90 TK1 (0.36) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL4421554 0.89 SMN1; SMN2 (0.33) RAB9ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL4418646 0.88 DDX3X (0.33) SMN1; SMN2ALDH1A1MAPTGAAMEN1
SCHEMBL4426611 0.85 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL4414797 0.83 TK1 (0.37) PTPRB
SCHEMBL4414566 0.83 CA12 (0.38) CYP3A4PTPRB
SCHEMBL4411449 0.82 LMNA (0.33) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4412301 0.82 KMT2A (0.33) MEN1KMT2APOLBPTPRB

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
EP-1651642-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-11-04 EP disclosed
EP-2099299-A2 OXAZOLIDINONE DERIVATIVES AND METHODS OF USE Concert Pharmaceuticals Inc. (US) 2009-09-16 EP disclosed
WO-2008127300-A3 OXAZOLIDINONE DERIVATIVES AND METHODS OF USE CONCERT PHARMACEUTICALS INC (US) 2008-12-11 WO disclosed
WO-2008127300-A2 OXAZOLIDINONE DERIVATIVES AND METHODS OF USE CONCERT PHARMACEUTICALS INC. (US) 2008-10-23 WO disclosed
US-7211668-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2007-05-01 US disclosed
EP-1651642-A4 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2006-11-29 EP disclosed
EP-1651642-A1 PNA MONOMER AND PRECURSOR Panagene Inc. (KR) 2006-05-03 EP disclosed
US-20050026930-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-02-03 US disclosed
WO-2005009998-A1 PNA MONOMER AND PRECURSOR PANAGENE INC. (US) 2005-02-03 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-20050026930-A1 PNA monomer and precursor RNGTT, POLL, NSUN3 RAB9A 3664/4885SMN1; SMN2 1750/4885ALDH1A1 3450/4885

“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.