SCHEMBL4418013

SCHEMBL4418013

CCOC(=O)CN(CCNS(=O)(=O)c1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])s1)C(=O)Cn1ccc(NC(=O)OCc2ccc3c(c2)OCO3)nc1=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
PKM P14618 1/20 0.32
ENPP2 Q13822 1/20 0.32
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4411268 0.94 PKM (0.30) HTTPKMENPP2
SCHEMBL4419396 0.90 ABL1 (0.34)
SCHEMBL4415135 0.86 PKM (0.30) HTTPKM
SCHEMBL4417020 0.86 PKM (0.31) HTTPKM
SCHEMBL4411274 0.85 MEN1 (0.30)
SCHEMBL4421662 0.85 ABL1 (0.36) KDM4E
SCHEMBL4415646 0.84 F9 (0.32)
SCHEMBL3132807 0.81 ABL1 (0.36) HTTENPP2NOS1NOS2KDM4E
SCHEMBL4413914 0.81
SCHEMBL4415040 0.81

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 3 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
US-20050026930-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-02-03 US 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 HTT 2127/4885PKM 3517/4885ENPP2 2967/4885

“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.