SCHEMBL8434811

SCHEMBL8434811

O=C1c2ccccc2C(=O)N1CCCCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
GSK3A P49840 1/20 0.67
GSK3B P49841 1/20 0.67
ACHE P22303 4/20 0.65
CASP3 P42574 1/20 0.65
FAAH O00519 1/20 0.64
MGLL Q99685 1/20 0.64
CYP1B1 Q16678 1/20 0.63

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
SCHEMBL5093425 1.00 TDP1 (1.00) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL31035964 1.00 TDP1 (1.00) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL29263641 1.00 TDP1 (1.00) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL9219707 1.00 TDP1 (1.00) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL916601 0.98 TDP1 (0.96) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL45050 0.93 TDP1 (0.86) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL30371663 0.93 TDP1 (0.86) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL9021226 0.91 TDP1 (0.82) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL24340266 0.88 TDP1 (0.79) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL3792244 0.87 TDP1 (0.77) TDP1L3MBTL1GSK3AGSK3BACHE

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 CN disclosed
EP-3143009-B1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2019-09-18 EP disclosed
EP-3143009-B1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2019-09-18 EP disclosed
US-20170182009-A1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-06-29 US disclosed
US-20170182009-A1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-06-29 US disclosed
US-20170182009-A1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-06-29 US disclosed
EP-3143009-A1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS Fondazione Istituto Italiano di Tecnologia (IT) 2017-03-22 EP disclosed
WO-2015173169-A1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-11-19 WO disclosed
WO-2015173169-A1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-11-19 WO disclosed
US-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed
CN-1160403-A Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-24 CN disclosed
EP-0785939-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-30 EP disclosed
WO-1996011201-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO disclosed
US-5061720-A ANTIINFLAMMATORY AGENTS FOR TOPICAL APPLICATION TO SKIN A. H. ROBINS COMPANY, INC. (US) 1991-10-29 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 (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-20170182009-A1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS ASAH1, ASAH2, ACER2 TDP1 2480/4885L3MBTL1 4346/4885GSK3A 1183/4885

“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.