Sugi Predict

Sugi Predict / Compounds / SCHEMBL3134558

SCHEMBL3134558

SCHEMBL3134558

COc1ccc(COC(=O)Nc2ncnc3c2ncn3CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.44
▸ CCNB2 O95067 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CCNB3 Q8WWL7 1/20 0.44
▸ PTGS2 P35354 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ NR3C1 P04150 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ FGFR4 P22455 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ PDE4A P27815 1/20 0.40

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
SCHEMBL3130095 0.89 TDP1 (0.48) HDAC1FLT4KDRHPGDTDP1
SCHEMBL3138201 0.87 LMNA (0.44) HDAC1HDAC6ALDH1A1CCNB2CDK1
SCHEMBL6748343 0.83 HDAC1 (0.58) HDAC1HDAC6PTGS2FLT4KDR
SCHEMBL7906492 0.81 PDE4A (0.49) HDAC1FLT4KDRHPGDTDP1
SCHEMBL3130066 0.80 NPC1 (0.45) ALDH1A1MAPTTDP1ATM
SCHEMBL6690200 0.80 TDP1 (0.49) HDAC1ALDH1A1HPGDTDP1PDE4A
SCHEMBL3132950 0.79 MEN1 (0.46) ALDH1A1PTGS2MAPTKMT2A
SCHEMBL8421549 0.79 PDE4A (0.47) HDAC1ALDH1A1FLT4KDRMAPT
SCHEMBL9435466 0.78 CCNE2 (0.47) HDAC1FLT4KDRTDP1PDE4A
SCHEMBL3127482 0.77 MKNK1 (0.40) HDAC1FLT4KDRTDP1PDE4A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2174936-B1 PNA monomer and precursor PANAGENE INC (KR) 2013-09-04 — — EP disclosed
EP-2174936-A1 PNA monomer and precursor Panagene, Inc. (KR) 2010-04-14 — — EP disclosed
EP-1501812-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-12-30 — — EP disclosed
EP-1651642-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-11-04 — — EP disclosed
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-7211668-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2007-05-01 — — 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-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-20050026930-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-02-03 — — US disclosed
WO-2005009998-A1 PNA MONOMER AND PRECURSOR PANAGENE INC. (US) 2005-02-03 — — WO disclosed
EP-1501812-A1 PNA MONOMER AND PRECURSOR Panagene, Inc. (KR) 2005-02-02 — — EP disclosed
US-20030225252-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-12-04 — — US disclosed
WO-2003091231-A1 PNA MONOMER AND PRECURSOR PANAGENE, INC. (US) 2003-11-06 — — WO 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 (6 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-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL HDAC1 4399/4885HDAC6 3780/4885ALDH1A1 3966/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL HDAC1 4399/4885HDAC6 3780/4885ALDH1A1 3966/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL HDAC1 4035/4885HDAC6 3591/4885ALDH1A1 4151/4885
US-20050026930-A1 PNA monomer and precursor RNGTT, POLL, NSUN3 HDAC1 4202/4885HDAC6 3499/4885ALDH1A1 3450/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 HDAC1 4350/4885HDAC6 3735/4885ALDH1A1 3448/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR HDAC1 4513/4885HDAC6 2968/4885ALDH1A1 4029/4885

“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.