Sugi Predict

Sugi Predict / Compounds / SCHEMBL4845137

SCHEMBL4845137

SCHEMBL4845137

O=C(Nc1ncnc2c1ncn2CC(=O)N1CCN(S(=O)(=O)c2nc3ccccc3s2)C(=O)C1)OC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.37
▸ LMNA P02545 6/20 0.37
▸ SMN1; SMN2 Q16637 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ MAPT P10636 7/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ HTT P42858 3/20 0.33
▸ GALR3 O60755 2/20 0.33

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
SCHEMBL4845126 0.89 KMT2A (0.35) KMT2ALMNASMN1; SMN2MEN1KDM4E
SCHEMBL4844727 0.84 MEN1 (0.39) KMT2ALMNASMN1; SMN2MEN1KDM4E
SCHEMBL4845170 0.82 GALR3 (0.40) LMNASMN1; SMN2KDM4ERAB9AHTT
SCHEMBL4842544 0.82 GALR3 (0.36) KMT2ALMNASMN1; SMN2MEN1KDM4E
SCHEMBL4838348 0.81 GALR3 (0.36) KMT2ALMNASMN1; SMN2MEN1KDM4E
SCHEMBL4843173 0.79 GALR3 (0.36) KMT2ASMN1; SMN2MEN1KDM4ERAB9A
SCHEMBL4843194 0.79 GALR3 (0.36) KMT2AMEN1KDM4ERAB9ANPC1
SCHEMBL4844303 0.78 MEN1 (0.35) KMT2ALMNASMN1; SMN2MEN1KDM4E
SCHEMBL4843290 0.78 KMT2A (0.36) KMT2ALMNASMN1; SMN2MEN1KDM4E
SCHEMBL3130099 0.75 ADORA1 (0.40) SMN1; SMN2KDM4ERAB9ANPC1MAPT

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 KMT2A 2563/4885LMNA 975/4885SMN1; SMN2 1591/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL KMT2A 4022/4885LMNA 683/4885SMN1; SMN2 1665/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL KMT2A 4022/4885LMNA 683/4885SMN1; SMN2 1665/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL KMT2A 4071/4885LMNA 720/4885SMN1; SMN2 1232/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL KMT2A 4022/4885LMNA 683/4885SMN1; SMN2 1665/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 KMT2A 3823/4885LMNA 553/4885SMN1; SMN2 1887/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR KMT2A 4022/4885LMNA 771/4885SMN1; 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.