SCHEMBL5945926

SCHEMBL5945926

FC(F)(F)c1ccc(-c2nn[c]o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
KIF11 P52732 6/20 0.44
NOTUM Q6P988 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GSK3B P49841 2/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
S1PR1 P21453 2/20 0.39
IKBKB O14920 1/20 0.39
MKNK1 Q9BUB5 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
SCHEMBL2360245 0.81 NPC1 (0.50) NPC1KIF11NOTUMKDM4EALDH1A1
SCHEMBL5945906 0.80 NOTUM (0.56) NPC1NOTUMKDM4EHSD17B10SMN1; SMN2
SCHEMBL345941 0.79 NPC1 (0.54) NPC1NOTUMKDM4EPOLBHSD17B10
SCHEMBL3620750 0.77 NOTUM (0.48) KIF11NOTUMCYP1A2SMN1; SMN2NPSR1
SCHEMBL1550945 0.76 PKM (0.52) NPC1NOTUMKDM4EALDH1A1CYP1A2
SCHEMBL344372 0.75 NPC1 (0.46) NPC1NOTUMKDM4EALDH1A1CYP1A2
SCHEMBL209522 0.75 RAB9A (0.54) NPC1NOTUMKDM4EALDH1A1POLB
SCHEMBL8631839 0.75 RAB9A (0.43) NPC1ALDH1A1POLBHSD17B10SMN1; SMN2
SCHEMBL7223282 0.75 NPC1 (0.47) NPC1NOTUMKDM4EALDH1A1CYP1A2
SCHEMBL7301794 0.75 NPC1 (0.46) NPC1NOTUMKDM4EALDH1A1POLB

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
WO-2015028989-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2015-03-05 WO claimed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO claimed
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP claimed
CN-110846675-B Synthetic method of 2- (5-aryl-1, 3, 4-oxadiazole-2-yl) aniline compound 阜阳师范大学 2021-05-28 CN disclosed
CN-110846675-A Synthetic method of 2- (5-aryl-1, 3, 4-oxadiazole-2-yl) aniline compound 阜阳师范大学 2020-02-28 CN disclosed
WO-2015028989-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2015-03-05 WO disclosed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 US disclosed
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 WO disclosed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5578623-A DRUGS FOR TREATMENT OF ARTHRITIS, PANCREATITIS, CYSTIC FIBROSIS, BRONCHITIS, RESPIRATORY DISORDERS STERLING WINTHROP INC. (US) 1996-11-26 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 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-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS NPC1 284/4885KIF11 3241/4885NOTUM 804/4885

“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.