SCHEMBL3133440

SCHEMBL3133440

O=C(O)Cn1cnc2c(NC(=O)OC(c3ccccc3)c3ccccc3)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
EGFR P00533 1/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC2 Q92769 5/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
HTT P42858 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.40
TMIGD3 P0DMS9 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2B P29275 1/20 0.39

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
SCHEMBL30089845 1.00 TDP1 (0.43) TDP1FLT4KDREGFRHDAC1
SCHEMBL13672568 0.88 TDP1 (0.44) TDP1FLT4KDREGFRHDAC1
SCHEMBL8056331 0.84 FLT4 (0.45) TDP1FLT4KDREGFRHDAC1
SCHEMBL3130095 0.81 TDP1 (0.48) TDP1FLT4KDREGFRHDAC1
SCHEMBL3457849 0.79 EGFR (0.54) TDP1FLT4KDREGFRHDAC1
SCHEMBL3820444 0.78 STAT3 (0.38)
SCHEMBL8527256 0.78 TDP1 (0.49) TDP1FLT4KDREGFRHDAC1
SCHEMBL24540240 0.77 TDP1 (0.42) TDP1FLT4KDREGFRHDAC1
SCHEMBL3136226 0.77 TK1 (0.46) KMT2A
SCHEMBL29586099 0.76 KMT2A (0.38) TDP1HDAC1HDAC2KMT2A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2174936-B1 PNA monomer and precursor PANAGENE INC (KR) 2013-09-04 EP disclosed
CN-103145714-A Feather weight PNA (pentose nucleic acid) synthesis method SUZHOU VIVOTIDE BIOTECHNOLOGIES CO LTD 2013-06-12 CN disclosed
EP-2174936-A1 PNA monomer and precursor Panagene, Inc. (KR) 2010-04-14 EP disclosed
EP-1501812-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-12-30 EP disclosed
EP-1651642-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-11-04 EP disclosed
EP-0840736-B1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PERSEPTIVE BIOSYSTEMS INC (US) 2009-10-07 EP disclosed
EP-1470114-B1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE INC (KR) 2009-08-19 EP disclosed
US-7411065-B2 Peptide nucleic acid monomers: diphenylmethyl, benzyl, alkylthioalkyl, or phenylthioalkyl esters of N-(1-[4-(2-benzothiazolyl-, 2-benzoxazolyl-, 2-benzofuranyl- or 2-benzothiophenyl-sulfonyl)-3-piperazinon-1-ylcarbonylmethyl]pyrimidon-4-yl)carbamic acids PANAGENE, INC. (KR) 2008-08-12 US disclosed
US-7371860-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2008-05-13 US disclosed
US-7371859-B2 Peptide nucleic acid monomers; 1-(4-(benzothiazolyl-, benzoxazolyl-, benzofuranyl-, and benzothiophenyl- sulfonyl)piperidin-3-one-1-ylcarbonylmethyl)adenines; suitable for automatic and parallel synthesis; increased yields PANAGENE, INC. (KR) 2008-05-13 US disclosed
US-20050250785-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-10 US disclosed
EP-1470114-A4 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE INC (KR) 2005-05-11 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
EP-1501812-A1 PNA MONOMER AND PRECURSOR Panagene, Inc. (KR) 2005-02-02 EP disclosed
EP-1470114-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES Panagene, Inc. (KR) 2004-10-27 EP disclosed
US-20030225252-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-12-04 US disclosed
WO-2003091231-A1 PNA MONOMER AND PRECURSOR PANAGENE, INC. (US) 2003-11-06 WO disclosed
US-20030195332-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-10-16 US disclosed
WO-2003062212-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE, INC. (US) 2003-07-31 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 (4 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-20030195332-A1 PNA monomer and precursor RNGTT, NGLY1, NCL TDP1 271/4885FLT4 1320/4885KDR 3636/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL TDP1 862/4885FLT4 2121/4885KDR 2966/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL TDP1 628/4885FLT4 2634/4885KDR 3189/4885
US-20050026930-A1 PNA monomer and precursor RNGTT, POLL, NSUN3 TDP1 1522/4885FLT4 1050/4885KDR 3831/4885

“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.