Sugi Predict

Sugi Predict / Compounds / SCHEMBL631833

SCHEMBL631833

SCHEMBL631833

C=CCN(CC(=O)O)NC(=O)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ EPHX1 P07099 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ANPEP P15144 1/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ CFD P00746 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HPGD P15428 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
SCHEMBL15144130 0.89 SMN1; SMN2 (0.46) ALDH1A1LMNAEPHX1CYP2D6CYP2C19
SCHEMBL18196153 0.88 SMN1; SMN2 (0.44) ALDH1A1LMNAEPHX1CYP2D6CYP2C19
SCHEMBL15146682 0.87 L3MBTL1 (0.47) ALDH1A1LMNAEPHX1CYP2D6CYP2C19
SCHEMBL1592273 0.84 PPID (0.56) LMNACYP2C19SMN1; SMN2MAPTL3MBTL1
SCHEMBL13745028 0.82 EPHX1 (0.49) LMNAEPHX1SMN1; SMN2TP53EPHX2
SCHEMBL23804482 0.81 EPHX1 (0.44) ALDH1A1LMNAEPHX1SMN1; SMN2TP53
SCHEMBL20824906 0.79 SMN1; SMN2 (0.49) ALDH1A1EPHX1CYP2C19SMN1; SMN2TP53
SCHEMBL27869588 0.77 ALDH1A1 (0.46) ALDH1A1LMNACYP2D6CYP2C19SMN1; SMN2
SCHEMBL13745043 0.76 RAB9A (0.55) ALDH1A1LMNACYP2C19SMN1; SMN2TP53
SCHEMBL1285838 0.75 SMN1; SMN2 (0.54) ALDH1A1LMNAEPHX1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2628741-A2 NOVEL COMPOUND OF A REVERSE-TURN MIMETIC AND A PRODUCTION METHOD AND USE THEREFOR JW Pharmaceutical Corporation (KR) 2013-08-21 — — EP claimed
US-20130196972-A1 NOVEL COMPOUND OF A REVERSE-TURN MIMETIC AND A PRODUCTION METHOD AND USE THEREFOR JW PHARMACEUTICAL CORPORATION (KR) 2013-08-01 — — US claimed
EP-2419430-A2 NOVEL COMPOUNDS OF REVERSE-TURN MIMETICS, METHOD FOR MANUFACTURING THE SAME AND USE THEREOF JW Pharmaceutical Corporation (KR) 2012-02-22 — — EP claimed
US-20100267672-A1 NOVEL COMPOUNDS OF REVERSE-TURN MIMETICS, METHOD FOR MANUFACTURING THE SAME AND USE THEREOF CHOONGWAE PHARMA CORPORATION (KR) 2010-10-21 — — US claimed
WO-2010120112-A2 NOVEL COMPOUNDS OF REVERSE-TURN MIMETICS, METHOD FOR MANUFACTURING THE SAME AND USE THEREOF CHOONGWAE PHARMA CORPORATION (KR) 2010-10-21 — — WO claimed
EP-3315499-B1 Crystal of (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide EISAI R&D MAN CO LTD (JP) 2021-04-07 — — EP disclosed
US-10259817-B2 Crystal (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-04-16 — — US disclosed
US-10221183-B2 — — 2019-03-05 — — US disclosed
US-20180141950-A1 Crystal (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-24 — — US disclosed
EP-3315499-A1 CRYSTAL OF (6S,9aS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]- 4,7-DIOXO-8-({6-[3-(PIPERAZIN-1-YL)AZETIDIN-1-YL]PYRIDIN- 2-YL}METHYL)-2-(PROP-2-EN-1-YL)-OCTAHYDRO-1H-PYRAZINO[2,1-c][1,2,4]TRIAZINE-1-CARBOXAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2018-05-02 — — EP disclosed
EP-2212328-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORP (KR) 2017-01-25 — — EP disclosed
EP-3088401-A1 (6S,9aS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]-4,7-DIOXO-8-({6-[3-(PIPERAZINE-1-YL)AZETIDINE-1-YL]PYRIDINE-2-YL}METHYL)-2-(PROP-2-EN-1-YL)-OCTAHYDRO-1H-PYRAZINO[2,1-c][1,2,4]TRIAZINE-1-CARBOXAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2016-11-02 — — EP disclosed
US-20100267672-A1 NOVEL COMPOUNDS OF REVERSE-TURN MIMETICS, METHOD FOR MANUFACTURING THE SAME AND USE THEREOF CHOONGWAE PHARMA CORPORATION (KR) 2010-10-21 — — US disclosed
US-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2010-09-09 — — US disclosed
US-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2010-09-09 — — US disclosed
WO-2009051397-A9 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORPORATION (KR) 2010-05-27 — — WO disclosed
WO-2009148192-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2009-12-10 — — WO disclosed
WO-2009051398-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 — — WO disclosed
WO-2009051397-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 — — WO disclosed
WO-2009051399-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 — — 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-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) MCL1, BID, MYADM ALDH1A1 4401/4885LMNA 451/4885EPHX1 3009/4885
US-10221183-B2 — NT5C, HTR2C, HTR3C ALDH1A1 204/4885LMNA 2599/4885EPHX1 814/4885
US-20100267672-A1 NOVEL COMPOUNDS OF REVERSE-TURN MIMETICS, METHOD FOR MANUFACTURING THE SAME AND USE THEREOF MCL1, THPO, FLT3 ALDH1A1 3827/4885LMNA 781/4885EPHX1 4074/4885
US-20130196972-A1 NOVEL COMPOUND OF A REVERSE-TURN MIMETIC AND A PRODUCTION METHOD AND USE THEREFOR MCL1, THPO, MYADM ALDH1A1 3712/4885LMNA 1611/4885EPHX1 4040/4885
US-10259817-B2 Crystal (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide NT5C, HTR2C, HTR1D ALDH1A1 261/4885LMNA 2238/4885EPHX1 925/4885
US-20180141950-A1 Crystal (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide NT5C, HTR2C, HTR1D ALDH1A1 261/4885LMNA 2238/4885EPHX1 925/4885

“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.