SCHEMBL4842544

SCHEMBL4842544

O=C(Nc1ncnc2c1ncn2CC(=O)N1CCN(S(=O)(=O)c2nc3ccccc3s2)C(=O)C1)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 2/20 0.36
NR2F2 P24468 2/20 0.36
LMNA P02545 2/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 2/20 0.31
HTT P42858 2/20 0.31
KDM4E B2RXH2 2/20 0.31
RXFP1 Q9HBX9 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 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
SCHEMBL21525096 0.90 GALR3 (0.33) GALR3NR2F2PDE4APDE4BPDE4C
SCHEMBL21525079 0.89 GALR3 (0.32) GALR3NR2F2PDE4APDE4BPDE4C
SCHEMBL4845170 0.89 GALR3 (0.40) GALR3NR2F2LMNAPDE4APDE4B
SCHEMBL4835831 0.87 TK1 (0.33) LMNAMAPK1MEN1KMT2ATSHR
SCHEMBL4838348 0.85 GALR3 (0.36) GALR3NR2F2LMNAPDE4APDE4B
SCHEMBL4843173 0.84 GALR3 (0.36) GALR3NR2F2MAPTSMN1; SMN2MAPK1
SCHEMBL4843194 0.82 GALR3 (0.36) GALR3NR2F2MAPTHTTKDM4E
SCHEMBL4835671 0.82 RAB9A (0.42) LMNAMAPTSMN1; SMN2MAPK1HTT
SCHEMBL4845126 0.82 KMT2A (0.35) GALR3NR2F2LMNAMAPTSMN1; SMN2
SCHEMBL4845137 0.82 KMT2A (0.37) GALR3NR2F2LMNAMAPTSMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GALR3 3761/4885NR2F2 3364/4885LMNA 975/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL GALR3 2428/4885NR2F2 3993/4885LMNA 683/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL GALR3 2428/4885NR2F2 3993/4885LMNA 683/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL GALR3 2238/4885NR2F2 3367/4885LMNA 720/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL GALR3 2428/4885NR2F2 3993/4885LMNA 683/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 GALR3 2356/4885NR2F2 3847/4885LMNA 553/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR GALR3 1949/4885NR2F2 3790/4885LMNA 771/4885

“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.