SCHEMBL6772335

SCHEMBL6772335

COC(=O)C=CN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.52
HCAR2 Q8TDS4 2/20 0.52
KEAP1 Q14145 1/20 0.52
ALDH1A1 P00352 7/20 0.42
MAPT P10636 4/20 0.42
USP2 O75604 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 3/20 0.40
RECQL P46063 2/20 0.38
ALOX12 P18054 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TYR P14679 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL6772333 1.00 NFE2L2 (0.52) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL1144907 0.98 NFE2L2 (0.50) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL1144905 0.98 NFE2L2 (0.50) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL2647678 0.84 NFE2L2 (0.44) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL1219862 0.84 RECQL (0.57) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL7916953 0.84 NFE2L2 (0.44) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL1219859 0.84 RECQL (0.57) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL2647676 0.84 NFE2L2 (0.44) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL16807839 0.78 NFE2L2 (0.39) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL16807843 0.78 NFE2L2 (0.39) NFE2L2HCAR2KEAP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 WO disclosed
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 EP disclosed
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors BIOGEN MA INC. (US) 2019-05-07 US disclosed
EP-3444251-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2019-02-20 EP disclosed
EP-3080122-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-10-31 EP disclosed
US-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2016-11-03 US disclosed
EP-3080122-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2016-10-19 EP disclosed
WO-2015089327-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 WO disclosed
US-6680319-B2 TREATMENT OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA, TREATMENT OF LOWER URINARY TRACT SYMPTOMS RECORDATI S.A. (CH) 2004-01-20 US disclosed
EP-1226131-B1 ISOXAZOLECARBOXAMIDE DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-12-17 EP disclosed
EP-1226131-A2 ISOXAZOLECARBOXAMIDE DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-07-31 EP disclosed
US-6365591-B1 FOR THERAPY OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA (BPH), AND IN THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS (LUTS) AND NEUROGENIC LOWER URINARY TRACT DYSFUNCTION (NLUTD) RECORDATI, S.A., CHEMICAL AND PHARMACUETICALS COMPANY (CH) 2002-04-02 US disclosed
WO-2001029015-A2 ISOXAZOLECARBOXAMIDE DERIVATIVES AS ALPHA1-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 2001-04-26 WO disclosed
EP-0638074-B1 ISOXAZOLE CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE BASF AG (DE) 1999-03-31 EP disclosed
US-5576270-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-19 US disclosed
EP-0638074-A1 ISOXAZOLE CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE BASF Aktiengesellschaft (DE) 1995-02-15 EP disclosed
WO-1993022295-A1 ISOXAZOLE CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed
EP-0176846-B1 3-AMINO-2-BENZOYL-ACRYLIC-ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1989-08-16 EP disclosed
US-4699992-A 3-amino-2-benzoylacrylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1987-10-13 US disclosed
EP-0176846-A2 3-Amino-2-benzoyl-acrylic-acid derivatives and process for their preparation BAYER AG (DE) 1986-04-09 EP 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 (2 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-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS ABL1, BTK, LYN NFE2L2 3583/4885HCAR2 4064/4885KEAP1 2090/4885
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors ABL1, BTK, LYN NFE2L2 3583/4885HCAR2 4064/4885KEAP1 2090/4885

“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.