SCHEMBL4242694

SCHEMBL4242694

NC(=O)C(C(=O)Nc1ncc[nH]1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.50
▸ PTGES O14684 5/20 0.38
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ FDPS P14324 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ ROCK2 O75116 2/20 0.34

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
SCHEMBL4242107 0.86 FFAR2 (0.53) FFAR2PTGESNR3C2FDPSNR3C1
SCHEMBL4239786 0.86 FFAR2 (0.67) FFAR2PTGES
SCHEMBL4240372 0.86 FFAR2 (0.44) FFAR2PTGESNR3C2FDPSNR3C1
SCHEMBL4247079 0.86 FFAR2 (0.49) FFAR2PTGESNR3C2FDPSCSNK1A1
SCHEMBL4240812 0.85 FFAR2 (0.44) FFAR2PTGESHDAC4HDAC7HDAC5
SCHEMBL4244243 0.83 FFAR2 (0.50) FFAR2HDAC1NR3C2ALDH1A1ROCK2
SCHEMBL4243620 0.83 FFAR2 (0.43) FFAR2PTGESFDPSNR3C1
SCHEMBL4243726 0.79 FFAR2 (0.45) FFAR2PTGESHDAC3HDAC4HDAC7
SCHEMBL4239132 0.77 FFAR2 (0.52) FFAR2PTGESHDAC6ROCK2
SCHEMBL4239414 0.77 FFAR2 (0.41) FFAR2NR3C2ALDH1A1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 — — US claimed
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 — — US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 — — US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 — — US disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 — — EP disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 — — US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 — — US 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 (3 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP FFAR2 4632/4885PTGES 2022/4885HDAC1 726/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP FFAR2 4632/4885PTGES 2022/4885HDAC1 726/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP FFAR2 4632/4885PTGES 2022/4885HDAC1 726/4885

“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.

Send feedback