SCHEMBL3127038

SCHEMBL3127038

CCOC(=O)CN(CCNS(=O)(=O)c1nc2ccccc2s1)C(=O)Cn1cnc2c(=O)[nH]c(NC(=O)OC(c3ccccc3)c3ccccc3)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDR P35968 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4843329 0.93 TK1 (0.32) MEN1KMT2ATSHRTK1
SCHEMBL21525040 0.89 TK1 (0.32) MEN1KMT2ATSHRTK1
SCHEMBL3138127 0.88 MEN1 (0.34) HPRT1MEN1KMT2ATSHRMAPK1
SCHEMBL3136422 0.87 MAPK1 (0.32) MEN1KMT2AMAPK1KDM4EMAPT
SCHEMBL21525043 0.87 TK1 (0.32) MEN1KMT2ATSHRKDM4ETK1
SCHEMBL3137655 0.87 KDR (0.32) HPRT1MEN1KMT2ATSHRMAPK1
SCHEMBL3133523 0.86 KDR (0.37) HPRT1KDM4EALDH1A1LMNAPOLB
SCHEMBL3136494 0.84 SMN1; SMN2 (0.34) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL4835790 0.83 MEN1 (0.34) MEN1KMT2ATSHRTK1
SCHEMBL3136193 0.83 MAPT (0.37) MEN1KMT2ATSHRMAPK1KDM4E

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 HPRT1 610/4885MEN1 4207/4885KMT2A 2563/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL HPRT1 308/4885MEN1 3369/4885KMT2A 4022/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL HPRT1 308/4885MEN1 3369/4885KMT2A 4022/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL HPRT1 377/4885MEN1 3281/4885KMT2A 4071/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL HPRT1 308/4885MEN1 3369/4885KMT2A 4022/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 HPRT1 254/4885MEN1 3505/4885KMT2A 3823/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR HPRT1 334/4885MEN1 4168/4885KMT2A 4022/4885

“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.