SCHEMBL4123368

SCHEMBL4123368

CCOC(=O)c1ccc2c(c1)nc(-c1ccc3nc(C(=O)O)ccc3c1)n2C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
SIRT2 Q8IXJ6 8/20 0.48
SIRT1 Q96EB6 6/20 0.48
RPS6KB1 P23443 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
PTGER4 P35408 5/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PDE2A O00408 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4124971 0.90 L3MBTL1 (0.48) L3MBTL1SIRT2SIRT1RPS6KB1ALDH1A1
SCHEMBL4133794 0.89 L3MBTL1 (0.61) L3MBTL1RPS6KB1PTGER4
SCHEMBL4137916 0.86 MAPT (0.46) L3MBTL1SIRT2SIRT1RPS6KB1ALDH1A1
SCHEMBL4118974 0.86 RPS6KB1 (0.44) L3MBTL1SIRT2SIRT1RPS6KB1ALDH1A1
SCHEMBL5776100 0.86 SIRT2 (0.45) L3MBTL1SIRT2SIRT1RPS6KB1ALDH1A1
SCHEMBL4280453 0.85 SIRT2 (0.48) L3MBTL1SIRT2SIRT1RPS6KB1ALDH1A1
SCHEMBL4125616 0.84 BMPR2 (0.44) L3MBTL1SIRT2SIRT1RPS6KB1TP53
SCHEMBL4140386 0.84 SIRT2 (0.42) L3MBTL1SIRT2SIRT1RPS6KB1ALDH1A1
SCHEMBL4124652 0.84 SIRT2 (0.42) L3MBTL1SIRT2SIRT1RPS6KB1ALDH1A1
SCHEMBL4518317 0.83 RPS6KB1 (0.42) L3MBTL1SIRT2SIRT1RPS6KB1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110724154-A Polysubstituted pyrrolo [3,4-d ] isoxazole derivative and synthetic method thereof 湖北科技学院 2020-01-24 CN claimed
JP-2007501189-A 2007-01-25 JP claimed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP claimed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO claimed
JP-4146984-A None JP disclosed
CN-114502609-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal element JSR株式会社 2022-05-13 CN disclosed
CN-114207085-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal element JSR株式会社 2022-03-18 CN disclosed
WO-2021070515-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL ELEMENT JSR株式会社 2021-04-15 WO disclosed
WO-2021049255-A1 LIQUID CRYSTAL ORIENTATION AGENT, LIQUID CRYSTAL ORIENTATION FILM, AND LIQUID CRYSTAL ELEMENT JSR株式会社 2021-03-18 WO disclosed
CN-110724154-B Polysubstituted pyrrolo [3,4-d ] isoxazole derivative and synthetic method thereof 湖北科技学院 2020-08-04 CN disclosed
CN-110724154-A Polysubstituted pyrrolo [3,4-d ] isoxazole derivative and synthetic method thereof 湖北科技学院 2020-01-24 CN disclosed
US-5596039-A FLAME RETARDERS, HEAT RESISTANCE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-21 US disclosed
US-5569726-A USEFUL IN FLAME-RETARDING, THERMAL STABILIZATION AND COMPATIBILIZATION OF RESINS AND IN THERMOSETTING MOLDING COMPOSITIONS MITSUI TOATSU CHEMICALS, INC. (JP) 1996-10-29 US disclosed
US-5545702-A THERMOSETTING RESIN COMPOSITION MITSUI TOATSU CHEMICALS, INC. (JP) 1996-08-13 US disclosed
US-5536795-A ADHESIVES AND PAINTS AND FIREPROOFING THERMOSETTING RESINS MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-16 US disclosed
US-5480947-A N-METHYLOL DIGUANAMINES MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-02 US disclosed
EP-0634406-A1 DIGUANAMINE, AND PRODUCTION, DERIVATIVE AND USE THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-01-18 EP disclosed
US-5162087-A Acrylic-Maleimide Interpolymer, Metallic Layer Particles SOKEN CHEMICAL & ENGINEERING CO., LTD. (JP) 1992-11-10 US disclosed
JP-H04146984-A RESIN FOR ADHESIVE AND ADHESIVE CONTAINING THE RESIN SOKEN KAGAKU KK 1992-05-20 JP 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 (1 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-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885SIRT2 1825/4885SIRT1 2539/4885

“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.