SCHEMBL3133587

SCHEMBL3133587

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.42
PKM P14618 3/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 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
SCHEMBL3134598 0.88 KMT2A (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3133577 0.82 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4844727 0.74 MEN1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3130099 0.74 ADORA1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3134587 0.72 KMT2A (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7874477 0.69 MAPT (0.48) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL6858979 0.69 ALDH1A1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL2153078 0.68 RAB9A (0.63) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL3141377 0.67 RAB9A (0.43) RAB9AALDH1A1KDM4ELMNAKMT2A
SCHEMBL7528362 0.67 ADORA3 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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 19 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-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-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-20050026930-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-02-03 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 (8 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 NPC1 3133/4885RAB9A 3709/4885SMN1; SMN2 1591/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL NPC1 2931/4885RAB9A 3554/4885SMN1; SMN2 1665/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL NPC1 2931/4885RAB9A 3554/4885SMN1; SMN2 1665/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL NPC1 3298/4885RAB9A 3709/4885SMN1; SMN2 1232/4885
US-20050026930-A1 PNA monomer and precursor RNGTT, POLL, NSUN3 NPC1 1888/4885RAB9A 3664/4885SMN1; SMN2 1750/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL NPC1 2931/4885RAB9A 3554/4885SMN1; SMN2 1665/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 NPC1 3187/4885RAB9A 3805/4885SMN1; SMN2 1887/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR NPC1 2533/4885RAB9A 3626/4885SMN1; SMN2 1917/4885

“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.