SCHEMBL4838348

SCHEMBL4838348

CSCCOC(=O)Nc1ncnc2c1ncn2CC(=O)N1CCN(S(=O)(=O)c2nc3ccccc3s2)C(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 2/20 0.36
NR2F2 P24468 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.33
KDM4E B2RXH2 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
STAT1 P42224 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL4845170 0.89 GALR3 (0.40) GALR3NR2F2SMN1; SMN2KDM4ERXFP1
SCHEMBL4835656 0.87 TSHR (0.35) SMN1; SMN2KDM4ERXFP1HPGDHSD17B10
SCHEMBL4843173 0.87 GALR3 (0.36) GALR3NR2F2SMN1; SMN2KDM4EHPGD
SCHEMBL4842544 0.85 GALR3 (0.36) GALR3NR2F2SMN1; SMN2KDM4ERXFP1
SCHEMBL4843194 0.85 GALR3 (0.36) GALR3NR2F2KDM4EHSD17B10NPC1
SCHEMBL4845126 0.83 KMT2A (0.35) GALR3NR2F2SMN1; SMN2KDM4EHPGD
SCHEMBL4835901 0.82 RAB9A (0.42) SMN1; SMN2KDM4ERXFP1HPGDHSD17B10
SCHEMBL4845137 0.81 KMT2A (0.37) GALR3NR2F2SMN1; SMN2KDM4EHPGD
SCHEMBL4844711 0.76 RAB9A (0.37) GALR3NR2F2RAB9AKMT2AMEN1
SCHEMBL4838306 0.76 PDE4A (0.32) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2

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 3364/4885SMN1; SMN2 1591/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL GALR3 2428/4885NR2F2 3993/4885SMN1; SMN2 1665/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL GALR3 2428/4885NR2F2 3993/4885SMN1; SMN2 1665/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL GALR3 2238/4885NR2F2 3367/4885SMN1; SMN2 1232/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL GALR3 2428/4885NR2F2 3993/4885SMN1; SMN2 1665/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 GALR3 2356/4885NR2F2 3847/4885SMN1; SMN2 1887/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR GALR3 1949/4885NR2F2 3790/4885SMN1; 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.