SCHEMBL3134598

SCHEMBL3134598

CCOC(=O)Cn1ccc(NC(=O)OC(=O)c2ccc3c(c2)OCO3)nc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
RAB9A P51151 5/20 0.46
MAPT P10636 5/20 0.46
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 4/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
SIRT1 Q96EB6 2/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL3133587 0.88 NPC1 (0.43) KMT2ARAB9AMAPTTSHRL3MBTL1
SCHEMBL3134587 0.85 KMT2A (0.47) KMT2ARAB9AMAPTTSHRSMN1; SMN2
SCHEMBL3127265 0.76 KMT2A (0.48) KMT2ARAB9AMAPTTSHRL3MBTL1
SCHEMBL14310475 0.73 MAPT (0.50) KMT2ARAB9AMAPTCYP2C9CYP2C19
SCHEMBL3133577 0.73 ALDH1A1 (0.48) RAB9AMAPTTSHRL3MBTL1SMN1; SMN2
SCHEMBL454099 0.71 MAPT (0.50) KMT2ARAB9AMAPTTSHRL3MBTL1
SCHEMBL4844727 0.71 MEN1 (0.39) KMT2ARAB9AMAPTSMN1; SMN2NPC1
SCHEMBL29394052 0.70 RAB9A (0.73) KMT2ARAB9AMAPTTSHRL3MBTL1
SCHEMBL1640023 0.70 RAB9A (0.73) KMT2ARAB9AMAPTTSHRL3MBTL1
SCHEMBL13672916 0.69 MAPT (0.46) KMT2ARAB9AMAPTTSHRSMN1; SMN2

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 17 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
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
US-20030225252-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-12-04 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 (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 KMT2A 2563/4885RAB9A 3709/4885MAPT 4141/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL KMT2A 4022/4885RAB9A 3554/4885MAPT 4291/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL KMT2A 4022/4885RAB9A 3554/4885MAPT 4291/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL KMT2A 4071/4885RAB9A 3709/4885MAPT 4396/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL KMT2A 4022/4885RAB9A 3554/4885MAPT 4291/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 KMT2A 3823/4885RAB9A 3805/4885MAPT 4051/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR KMT2A 4022/4885RAB9A 3626/4885MAPT 4384/4885

“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.