SCHEMBL3130099

SCHEMBL3130099

O=C(O)Cn1cnc2c(NC(=O)OC(=O)c3ccc4c(c3)OCO4)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
PDE5A O76074 2/20 0.39
ALDH1A1 P00352 2/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
FSCN1 Q16658 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL3127265 0.89 KMT2A (0.48) KDM4EMKNK1PDE5AALDH1A1ADRB2
SCHEMBL3130066 0.84 NPC1 (0.45) KDM4EMKNK1PDE5AALDH1A1MAPT
SCHEMBL4844303 0.77 MEN1 (0.35) ADORA1KDM4EALDH1A1MAPTNPC1
SCHEMBL4845137 0.75 KMT2A (0.37) ADORA1KDM4EALDH1A1MAPTNPC1
SCHEMBL3127239 0.74 MKNK1 (0.45) KDM4EMKNK1PDE5AALDH1A1MAPT
SCHEMBL3133587 0.74 NPC1 (0.43) ADORA1KDM4EPKMALDH1A1MAPT
SCHEMBL24540240 0.71 TDP1 (0.42) MKNK1FLT4KDRTDP1
SCHEMBL3457849 0.70 EGFR (0.54) ADORA1FLT4KDRNPC1RAB9A
SCHEMBL3130095 0.70 TDP1 (0.48) ADORA1FLT4KDRNPC1RAB9A
SCHEMBL3133440 0.70 TDP1 (0.43) ADORA1FLT4KDRNPC1RAB9A

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 26 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
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
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-7211668-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2007-05-01 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-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-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
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 (6 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-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL ADORA1 503/4885KDM4E 4849/4885PKM 1406/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL ADORA1 503/4885KDM4E 4849/4885PKM 1406/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL ADORA1 558/4885KDM4E 4848/4885PKM 1516/4885
US-20050026930-A1 PNA monomer and precursor RNGTT, POLL, NSUN3 ADORA1 246/4885KDM4E 4872/4885PKM 3517/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 ADORA1 404/4885KDM4E 4843/4885PKM 1185/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR ADORA1 422/4885KDM4E 4859/4885PKM 1602/4885

“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.