SCHEMBL4834952

SCHEMBL4834952

COc1ccc(COC(=O)Nc2nc3c(ncn3CC(=O)N(CCNS(=O)(=O)c3nc4ccccc4s3)CC(=O)O)c(=O)[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
PDE1B Q01064 1/20 0.32
MAPT P10636 4/20 0.32
POLB P06746 1/20 0.32
GLO1 Q04760 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
GAA P10253 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 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
SCHEMBL3137655 0.94 KDR (0.32) PKMMEN1KMT2ATSHRMAPT
SCHEMBL4847336 0.93 ABL1 (0.34) PKMMEN1KMT2ATSHRMAPT
SCHEMBL4834803 0.88 TSHR (0.33) PKMMEN1KMT2ATSHRMAPT
SCHEMBL4835790 0.87 MEN1 (0.34) MEN1KMT2ATSHR
SCHEMBL4838731 0.87 PKM (0.34) PKMMEN1KMT2APDE1BMAPT
SCHEMBL3133523 0.87 KDR (0.37) PKMMAPTPOLBLMNAKDM4E
SCHEMBL4843329 0.85 TK1 (0.32) MEN1KMT2ATSHR
SCHEMBL3136494 0.83 SMN1; SMN2 (0.34) PKMMEN1KMT2ATSHRMAPT
SCHEMBL4839459 0.83 ABL1 (0.44) PKMMEN1KMT2AMAPTPOLB
SCHEMBL3136781 0.82 KDR (0.33) PKMMEN1KMT2APDE1BMAPT

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 12 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 PKM 1300/4885MEN1 4207/4885KMT2A 2563/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL PKM 1406/4885MEN1 3369/4885KMT2A 4022/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL PKM 1406/4885MEN1 3369/4885KMT2A 4022/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 PKM 1185/4885MEN1 3505/4885KMT2A 3823/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR PKM 1602/4885MEN1 4168/4885KMT2A 4022/4885

“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.