SCHEMBL1202504

SCHEMBL1202504

Nc1cccc(C(=O)Nc2ncc[nH]2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 11/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR3C1 P04150 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HPGDS O60760 1/20 0.39
CSNK1A1 P48729 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PRKCI P41743 1/20 0.38
HDAC1 Q13547 1/20 0.38
FDPS P14324 1/20 0.38
FFAR2 O15552 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
SCHEMBL1202212 0.82 SMN1; SMN2 (0.48) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL18132556 0.78 KMT2A (0.56) PTGESALDH1A1
SCHEMBL4243785 0.77 PTGES (0.40) PTGESNPC1ALDH1A1GAARAB9A
SCHEMBL4235147 0.77 PARP1 (0.47) PTGESNPC1GAARAB9ASMN1; SMN2
SCHEMBL1201169 0.77 NPC1 (0.41) PTGESNPC1GAARAB9ASMN1; SMN2
SCHEMBL5800022 0.74 PTGES (0.42) PTGESNPC1RAB9ANR3C1HPGDS
SCHEMBL5526074 0.74 NPC1 (0.67) NPC1GAARAB9ASMN1; SMN2
SCHEMBL4247762 0.74 PTGES (0.39) PTGESNPC1RAB9AHPGDS
SCHEMBL2953503 0.72 RPS6KA3 (0.47) PTGESNR3C1HPGDSHDAC1FDPS
SCHEMBL6825870 0.72 NPC1 (0.54) NPC1ALDH1A1GAARAB9ASMN1; SMN2

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 12 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-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
CN-101142194-A Benzazole derivatives, compositions, and methods of use as b-secretase inhibitors TRANSTECH PHARMA INC (US) 2008-03-12 CN disclosed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO 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 (4 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 PTGES 2022/4885NPC1 188/4885ALDH1A1 1717/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP PTGES 2274/4885NPC1 190/4885ALDH1A1 2426/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PTGES 2022/4885NPC1 188/4885ALDH1A1 1717/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PTGES 2022/4885NPC1 188/4885ALDH1A1 1717/4885

“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.