SCHEMBL4842283

SCHEMBL4842283

O=C(Nc1nc2c(ncn2CC(=O)N2CCN(S(=O)(=O)c3nc4cc(Cl)ccc4s3)C(=O)C2)c(=O)[nH]1)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.32
PPARA Q07869 1/20 0.31
USP7 Q93009 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TK1 P04183 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
SCHEMBL4835831 0.93 TK1 (0.33) KMT2ATK1
SCHEMBL21525090 0.83 TK1 (0.32) KMT2ATK1
SCHEMBL21525080 0.83 TK1 (0.33) KMT2ATK1
SCHEMBL4842797 0.82 RAB9A (0.39) F10PPARAKDM4EMAPTHTT
SCHEMBL4844711 0.82 RAB9A (0.37) KMT2ATK1
SCHEMBL4842544 0.80 GALR3 (0.36) KDM4EMAPTHTTKMT2A
SCHEMBL4835656 0.79 TSHR (0.35) KDM4EKMT2ATK1
SCHEMBL4838651 0.78 MAPT (0.34) KDM4EMAPTHTTKMT2A
SCHEMBL4835794 0.77 SSTR5 (0.36) KDM4EMAPTKMT2A
SCHEMBL4843290 0.77 KMT2A (0.36) KDM4EMAPTHTTKMT2A

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 F10 2105/4885PPARA 1054/4885USP7 3694/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL F10 1733/4885PPARA 2025/4885USP7 4328/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL F10 1733/4885PPARA 2025/4885USP7 4328/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL F10 1791/4885PPARA 1996/4885USP7 4288/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL F10 1733/4885PPARA 2025/4885USP7 4328/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 F10 1762/4885PPARA 1850/4885USP7 4076/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR F10 1736/4885PPARA 2040/4885USP7 3753/4885

“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.