Sugi Predict

Sugi Predict / Compounds / SCHEMBL64409

SCHEMBL64409

SCHEMBL64409

O=C(O)c1ccc(CCN2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ SIGMAR1 Q99720 3/20 0.54
▸ POLB P06746 2/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ MAPT P10636 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ EBP Q15125 1/20 0.52
▸ HTT P42858 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MPI P34949 1/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ DHCR7 Q9UBM7 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CD274 Q9NZQ7 1/20 0.48

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
SCHEMBL14304804 0.95 CD274 (0.54) THRATHRBSIGMAR1POLBALDH1A1
SCHEMBL3514227 0.86 THRA (0.53) THRATHRBSIGMAR1POLBALDH1A1
SCHEMBL28137839 0.86 AOC3 (0.62) POLBALDH1A1KMT2AHTTHRH3
SCHEMBL12858056 0.86 ALDH1A1 (0.59) THRATHRBSIGMAR1POLBALDH1A1
SCHEMBL7772142 0.85 SLC6A3 (0.61) SIGMAR1KMT2AEBPHRH3DHCR7
SCHEMBL1013842 0.84 HRH3 (0.64) THRBALDH1A1MAPTKMT2AHRH3
SCHEMBL25378778 0.84 SIGMAR1 (0.54) THRATHRBSIGMAR1POLBALDH1A1
SCHEMBL7031548 0.83 HRH3 (0.62) SIGMAR1ALDH1A1KMT2AEBPHRH3
SCHEMBL2741683 0.83 HRH3 (0.62) SIGMAR1ALDH1A1KMT2AEBPHRH3
SCHEMBL10902405 0.83 MEN1 (0.67) SIGMAR1KMT2AEBPKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623635-B1 Amine-functionalized polyester GEN ELECTRIC (US) 2003-02-19 — — EP claimed
US-5384387-A Amino acid or amino alcohol reacted into polymer GENERAL ELECTRIC COMPANY (US) 1995-01-24 — — US claimed
EP-0623635-A1 Amine-functionalized polyester GENERAL ELECTRIC COMPANY (US) 1994-11-09 — — EP claimed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 — — US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 — — US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 — — US disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 — — US disclosed
US-20140066455-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2014-03-06 — — US disclosed
US-8604022-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2013-12-10 — — US disclosed
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF ASTRAZENECA AB 2012-05-24 — — US disclosed
US-8129391-B2 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2012-03-06 — — US disclosed
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 — — EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 — — WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 — — US disclosed
EP-0623635-B1 Amine-functionalized polyester GEN ELECTRIC (US) 2003-02-19 — — EP disclosed
US-5519107-A MOLDING MATERIALS OF AROMATIC AMINE FUNCTIONAL POLYESTERS GENERAL ELECTRIC COMPANY (US) 1996-05-21 — — US disclosed
US-5384387-A Amino acid or amino alcohol reacted into polymer GENERAL ELECTRIC COMPANY (US) 1995-01-24 — — US disclosed
EP-0623635-A1 Amine-functionalized polyester GENERAL ELECTRIC COMPANY (US) 1994-11-09 — — EP disclosed
EP-0454773-A1 NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS Bundgaard, Hans (DK) 1991-11-06 — — EP disclosed
WO-1990008128-A1 NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS BUNDGAARD HANS (DK) 1990-07-26 — — 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 THRA 3690/4885THRB 4061/4885SIGMAR1 2339/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 THRA 3776/4885THRB 3540/4885SIGMAR1 1440/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 THRA 3066/4885THRB 4079/4885SIGMAR1 1976/4885
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 THRA 2391/4885THRB 3540/4885SIGMAR1 1058/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 THRA 3776/4885THRB 3540/4885SIGMAR1 1440/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 THRA 3776/4885THRB 3540/4885SIGMAR1 1440/4885

“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.