SCHEMBL3138201

SCHEMBL3138201

COc1ccc(COC(=O)Nc2ncnc3c2ncn3CC(=O)O)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 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
SCHEMBL3134558 0.87 HDAC1 (0.50) ALDH1A1TDP1FLT4KDRCCNB2
SCHEMBL3130095 0.84 TDP1 (0.48) TDP1FLT4KDRHDAC1MAPK1
SCHEMBL3130066 0.81 NPC1 (0.45) ALDH1A1TDP1KDM4EMAPTMAPK1
SCHEMBL3127339 0.80 MEN1 (0.44) HDAC6MEN1KMT2AABL1RIN1
SCHEMBL4838681 0.76 ABL1 (0.34) LMNAALDH1A1TDP1KDRMEN1
SCHEMBL7906492 0.76 PDE4A (0.49) TDP1FLT4KDRHDAC1MAPK1
SCHEMBL6690200 0.76 TDP1 (0.49) ALDH1A1TDP1HDAC1MAPK1HTT
SCHEMBL3127482 0.75 MKNK1 (0.40) TDP1FLT4KDRHDAC1PDE4A
SCHEMBL8421549 0.75 PDE4A (0.47) LMNAALDH1A1TDP1FLT4KDR
SCHEMBL9435466 0.74 CCNE2 (0.47) TDP1FLT4KDRHDAC1HTT

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 20 patents. 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
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
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-7179896-B2 Method of making PNA oligomers PANAGENE, INC. (KR) 2007-02-20 US disclosed
US-7145006-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2006-12-05 US disclosed
US-7125994-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2006-10-24 US disclosed
EP-1501812-A4 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2006-05-24 EP disclosed
US-20060030709-A1 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) 2006-02-09 US disclosed
US-20060008835-A1 PNA monomer and precursor KIM SUNG K 2006-01-12 US disclosed
US-20060003374-A1 Method of making PNA oligomers KIM SUNG K 2006-01-05 US disclosed
US-20050283005-A1 PNA monomer and precursor KIM SUNG K 2005-12-22 US disclosed
US-6969766-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-29 US disclosed
US-20050250785-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-10 US disclosed
US-20050250786-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-10 US disclosed
EP-1501812-A1 PNA MONOMER AND PRECURSOR Panagene, Inc. (KR) 2005-02-02 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20060030709-A1 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 RNGTT, POLL, RNMT LMNA 975/4885ALDH1A1 3058/4885TDP1 1008/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL LMNA 683/4885ALDH1A1 3966/4885TDP1 862/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL LMNA 683/4885ALDH1A1 3966/4885TDP1 862/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL LMNA 720/4885ALDH1A1 4151/4885TDP1 628/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL LMNA 683/4885ALDH1A1 3966/4885TDP1 862/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 LMNA 553/4885ALDH1A1 3448/4885TDP1 727/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR LMNA 771/4885ALDH1A1 4029/4885TDP1 711/4885

“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.