SCHEMBL6646189

SCHEMBL6646189

CCOc1c(Nc2ccc(F)cc2)c(=O)c1=O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
MAPT P10636 4/20 0.63
GAA P10253 3/20 0.52
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 1/20 0.42
EGFR P00533 2/20 0.41
MAPKAPK2 P49137 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH3 Q9ULD8 1/20 0.38

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
SCHEMBL7916278 0.85 POLB (0.70) POLBMAPTGAAALDH1A1ADAMTS5
SCHEMBL24127368 0.84 POLB (0.65) POLBMAPTGAANPSR1ADAMTS5
SCHEMBL10112748 0.84 POLB (0.68) POLBMAPTGAAALDH1A1KDM4E
SCHEMBL3635448 0.84 POLB (0.73) POLBMAPTGAAALDH1A1KDM4E
SCHEMBL12262808 0.84 POLB (0.68) POLBMAPTGAAALDH1A1KDM4E
SCHEMBL10131638 0.84 POLB (0.68) POLBMAPTGAAALDH1A1KDM4E
SCHEMBL6549773 0.83 POLB (0.68) POLBMAPTGAAKDM4ENPSR1
SCHEMBL7093309 0.82 POLB (0.55) POLBMAPTGAAALDH1A1EGFR
SCHEMBL2994041 0.81 POLB (0.45) POLBMAPTGAAALDH1A1KDM4E
SCHEMBL8870928 0.81 POLB (0.60) POLBMAPTGAAADAMTS5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409504-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY 2024-12-12 US disclosed
US-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY 2024-09-26 US disclosed
US-12098117-B2 Compositions and methods for the treatment of cancer DUKE UNIVERSITY (US) 2024-09-24 US disclosed
US-20220106265-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY (US) 2022-04-07 US disclosed
EP-3894392-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER Duke University (US) 2021-10-20 EP disclosed
WO-2020123675-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY (US) 2020-06-18 WO disclosed
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
WO-2016131380-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO.,LTD. (CN) 2016-08-25 WO disclosed
EP-1197485-B1 Cyclobuten-dione derivatives for use in the treatment of artherosclerosis SERVIER LAB (FR) 2004-08-11 EP disclosed
US-6696469-B2 FOR TREATMENT OF DISEASES OR PATHOLOGICAL CONDITIONS IN WHICH ENDOTHELIAL DYSFUNCTION IS KNOWN; ATHEROSCLEROSIS, DYSLIPIDAEMIA, DIABETES LES LABORATOIRES SERVIER (FR) 2004-02-24 US disclosed
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
US-20020065419-A1 Cyclobutenedione compounds LES LABORATOIRES SERVIER (FR) 2002-05-30 US disclosed
EP-1197485-A1 Cyclobuten-dione derivatives for use in the treatment of artherosclerosis Les Laboratoires Servier (FR) 2002-04-17 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 (9 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-20240409504-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 POLB 1149/4885MAPT 2167/4885GAA 733/4885
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 POLB 3403/4885MAPT 1811/4885GAA 1297/4885
US-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 POLB 2992/4885MAPT 3949/4885GAA 2105/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 POLB 3403/4885MAPT 1811/4885GAA 1297/4885
US-12098117-B2 Compositions and methods for the treatment of cancer HSF1, HSP90AB1, HSP90AA1 POLB 1149/4885MAPT 2167/4885GAA 733/4885
US-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 POLB 1149/4885MAPT 2167/4885GAA 733/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 POLB 2992/4885MAPT 3949/4885GAA 2105/4885
US-20020065419-A1 Cyclobutenedione compounds NR3C2, NR5A1, CYP11B1 POLB 630/4885MAPT 3977/4885GAA 4303/4885
US-20220106265-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 POLB 1149/4885MAPT 2167/4885GAA 733/4885

“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.