SCHEMBL468378

SCHEMBL468378

[NH]C(=O)CCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.67
FFAR1 O14842 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HDAC2 Q92769 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
HDAC1 Q13547 5/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
MAPK1 P28482 1/20 0.56
ADRA1A P35348 1/20 0.56
SLC6A3 Q01959 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 2/20 0.53

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
SCHEMBL1170624 0.86 HDAC1 (0.69) KEAP1FFAR1ALDH1A1HDAC2HDAC8
SCHEMBL2491503 0.85 MAPT (0.68) KEAP1HDAC2HDAC8HDAC6TDP1
SCHEMBL3244035 0.83 MAPT (0.71) HDAC2HDAC8HDAC6TDP1HDAC1
SCHEMBL9129396 0.83 MAPT (0.71) HDAC2HDAC8HDAC6TDP1HDAC1
SCHEMBL6561091 0.83 MAPT (0.71) HDAC2HDAC8HDAC6TDP1HDAC1
SCHEMBL3450605 0.81 KEAP1 (0.67) KEAP1FFAR1ALDH1A1HDAC2HDAC8
SCHEMBL497371 0.80 KEAP1 (0.73) KEAP1FFAR1ALDH1A1HDAC2HDAC8
Phenyl Propionic Acid SCHEMBL3419 0.80 KEAP1 (1.00) KEAP1FFAR1ALDH1A1HDAC2HDAC8
Phenyl Propionic Acid SCHEMBL29619843 0.80 KEAP1 (1.00) KEAP1FFAR1ALDH1A1HDAC2HDAC8
Phenyl Propionic Acid SCHEMBL13618844 0.80 KEAP1 (1.00) KEAP1FFAR1ALDH1A1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2182950-B1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LTD (GB) 2017-07-19 EP claimed
US-9198426-B2 Use of 5 pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US claimed
US-8476260-B2 Antitumor agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-07-02 US claimed
WO-2012175513-A1 THIENYLPYRI(MI)DINYLPYRAZOLE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-27 WO claimed
US-8242118-B2 Arylsulfonamide derivatives for use as CCR3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS INC. (US) 2012-08-14 US claimed
EP-2385763-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME Akebia Therapeutics Inc. (US) 2011-11-16 EP claimed
EP-2378880-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-10-26 EP claimed
US-20110253725-A1 MULTI-PORT BEVERAGE AND FOOD CONTAINERS KILLIAN WILLIAM 2011-10-20 US claimed
US-20100286127-A1 ANTITUMOR AGENT MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-11-11 US claimed
EP-2239264-A1 ANTITUMOR AGENT Mitsubishi Tanabe Pharma Corporation (JP) 2010-10-13 EP claimed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO claimed
EP-0421365-B1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMA CO LTD (JP) 1997-03-05 EP claimed
US-RE35321-E ANTIDIABETIC AGENT WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US claimed
US-5158959-A Treatment of hypertension HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-27 US claimed
EP-0316820-B1 THIAZOLE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-22 EP claimed
US-5068239-A Antidiabetic agent WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-11-26 US claimed
EP-0421365-A2 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1991-04-10 EP claimed
US-4921887-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-01 US claimed
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP claimed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP claimed

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-20100286127-A1 ANTITUMOR AGENT BRDT, HDAC1, BRPF3 KEAP1 1284/4885FFAR1 4106/4885ALDH1A1 2889/4885

“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.