SCHEMBL4243668

SCHEMBL4243668

Cc1nc(C(=O)O)cc2cc(OC(F)(F)F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.47
DHODH Q02127 2/20 0.40
PTGER4 P35408 1/20 0.39
DYRK1A Q13627 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ELANE P08246 1/20 0.38
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE2A O00408 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.37

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
SCHEMBL4241709 0.89 PIM1 (0.44) PIM1DHODHPTGER4DYRK1AKDM4E
SCHEMBL6101125 0.76 MEN1 (0.47) KDM4EL3MBTL1KMT2A
SCHEMBL2909353 0.75 DHODH (0.46) PIM1DHODHDYRK1AAURKATPX2
SCHEMBL2904860 0.73 DHODH (0.52) PIM1DHODHDYRK1AAURKATPX2
SCHEMBL15129730 0.73 DHODH (0.57) PIM1DHODHDYRK1AKDM4E
SCHEMBL3358496 0.73 HSD11B1 (0.44) KDM4EL3MBTL1KMT2A
SCHEMBL28231529 0.72 SMN1; SMN2 (0.50) PIM1DHODHDYRK1AGAASCN10A
SCHEMBL4236161 0.71 KDM4E (0.52) KDM4EL3MBTL1GAAKMT2A
SCHEMBL30420994 0.71 ALDH1A1 (0.50) KDM4EL3MBTL1KMT2A
SCHEMBL1202533 0.71 ALDH1A1 (0.50) KDM4EL3MBTL1KMT2A

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 907/4885PTGER4 3554/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PIM1 1269/4885DHODH 907/4885PTGER4 3554/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PIM1 1269/4885DHODH 907/4885PTGER4 3554/4885

“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.