SCHEMBL4241709

SCHEMBL4241709

Cc1nc(C(=O)O)cc2ccc(OC(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
DHODH Q02127 3/20 0.43
ELANE P08246 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
DYRK1A Q13627 1/20 0.39
PTGFR P43088 2/20 0.39
TP53 P04637 1/20 0.39
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE2A O00408 2/20 0.38
HDAC3 O15379 1/20 0.38
APP P05067 1/20 0.38
ACHE P22303 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 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
SCHEMBL4243668 0.89 PIM1 (0.47) PIM1DHODHELANEPTGS1PTGS2
SCHEMBL3358496 0.84 HSD11B1 (0.44) KDM4EL3MBTL1
SCHEMBL4236161 0.82 KDM4E (0.52) TP53KDM4EL3MBTL1
SCHEMBL31351885 0.79 MCL1 (0.50) DHODHL3MBTL1
SCHEMBL28674761 0.79 MCL1 (0.50) DHODHL3MBTL1
SCHEMBL17861480 0.78 GPR3 (0.39) TP53KDM4EL3MBTL1PDE2A
SCHEMBL2904860 0.76 DHODH (0.52) PIM1DHODHDYRK1APTGFRTP53
SCHEMBL15129730 0.76 DHODH (0.57) PIM1DHODHDYRK1ATP53KDM4E
SCHEMBL15491289 0.73 DHODH (0.64) PIM1DHODHELANEDYRK1APTGFR
SCHEMBL28231529 0.72 SMN1; SMN2 (0.50) PIM1DHODHDYRK1ATP53SCN10A

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-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-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP 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 PIM1 1269/4885DHODH 907/4885ELANE 791/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PIM1 1269/4885DHODH 907/4885ELANE 791/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PIM1 1269/4885DHODH 907/4885ELANE 791/4885

“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.