SCHEMBL8765615

SCHEMBL8765615

N#CC(C(=O)C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
ALPG P10696 2/20 0.49
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL166050 0.84 HDAC4 (0.41) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL6097343 0.84 TSHR (0.44) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL11809770 0.81 LMNA (0.55) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL10978426 0.79 LMNA (0.53) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL21383218 0.78 LMNA (0.51) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL1720514 0.78 LMNA (0.51) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL9171467 0.78 MAOA (0.41) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL1008191 0.78 MDM2 (0.40) LMNAHTT
SCHEMBL20767316 0.77 SLC6A3 (0.41) LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL17355093 0.75 ALDH1A1 (0.49) LMNASMN1; SMN2ALDH1A1ALPGHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022200-B1 NEW ANTI-MALARIAL AGENTS MEDICINES FOR MALARIA VENTURE MMV (CH) 2017-03-01 EP disclosed
EP-3022200-B1 NEW ANTI-MALARIAL AGENTS MEDICINES FOR MALARIA VENTURE MMV (CH) 2017-03-01 EP disclosed
US-9464057-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-10-11 US disclosed
US-9464057-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-10-11 US disclosed
US-9464057-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-10-11 US disclosed
US-20160194286-A1 NEW ANTI-MALARIAL AGENTS UNIVERSITY OF WASHINGTON 2016-07-07 US disclosed
US-20160194286-A1 NEW ANTI-MALARIAL AGENTS UNIVERSITY OF WASHINGTON 2016-07-07 US disclosed
US-20160194286-A1 NEW ANTI-MALARIAL AGENTS UNIVERSITY OF WASHINGTON 2016-07-07 US disclosed
EP-3022200-A1 NEW ANTI-MALARIAL AGENTS MMV Medicines for Malaria Venture (CH) 2016-05-25 EP disclosed
WO-2015008246-A1 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-01-22 WO disclosed
WO-2015008246-A1 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-01-22 WO disclosed
EP-0375670-B1 Process for preparing 3-polyfluoroalkylisoxazolylamines SHIONOGI & CO (JP) 1997-08-06 EP disclosed
EP-0220947-B1 Polyfluoroalkylisoxazolylamines, their preparation and use SHIONOGI & CO (JP) 1994-06-15 EP disclosed
EP-0375670-A2 Process for preparing 3-polyfluoroalkylisoxazolylamines SHIONOGI & CO., LTD. (JP) 1990-06-27 EP disclosed
US-4797492-A INTERMEDIATES FOR BACTERICIDES; HERBICIDES OR FUNGICIDES SHIONOGI & CO., LTD. (JP) 1989-01-10 US disclosed
EP-0220947-A2 Polyfluoroalkylisoxazolylamines, their preparation and use SHIONOGI & CO., LTD. (JP) 1987-05-06 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 (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-20160194286-A1 NEW ANTI-MALARIAL AGENTS CYP51A1, QDPR, G6PD LMNA 3995/4885SMN1; SMN2 4313/4885ALDH1A1 1099/4885

“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.