SCHEMBL4413781

SCHEMBL4413781

COc1ccc(COC(=O)Nc2ncnc3c2ncn3CC(=O)N(CCNS(=O)(=O)c2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])s2)CC(=O)O)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SLC29A1 Q99808 1/20 0.32
NR3C1 P04150 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE7A Q13946 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL4418656 0.95 HDAC1 (0.32) HDAC1HDAC6SLC29A1NR3C1SMN1; SMN2
SCHEMBL4415040 0.90
SCHEMBL4411280 0.89 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL4418039 0.86
SCHEMBL4421662 0.85 ABL1 (0.36) SMN1; SMN2PDE7AKDM4EMEN1ALDH1A1
SCHEMBL4415135 0.85 PKM (0.30)
SCHEMBL4415457 0.84
SCHEMBL4415042 0.82 F9 (0.30)
SCHEMBL4415057 0.82 SLC29A1 (0.30) SLC29A1
SCHEMBL4419396 0.80 ABL1 (0.34) SMN1; SMN2PDE7AMAPT

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
EP-1651642-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-11-04 EP 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 HDAC1 4202/4885HDAC6 3499/4885SLC29A1 575/4885

“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.