SCHEMBL4246334

SCHEMBL4246334

N#Cc1ccc(CNC(=O)c2cccc3nc(C(N)=O)[nH]c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.43
KLK1 P06870 2/20 0.43
MMP13 P45452 2/20 0.42
PARP1 P09874 3/20 0.42
EPHX2 P34913 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
CNR2 P34972 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 1/20 0.40
AKR1B1 P15121 1/20 0.39
ESR1 P03372 1/20 0.39
MAPT P10636 1/20 0.39
MAPK10 P53779 1/20 0.39
KMT2A Q03164 1/20 0.39
NSD2 O96028 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL4246337 0.87 KLKB1 (0.44) KLKB1KLK1MMP13EPHX2CNR2
SCHEMBL4239959 0.87 SMN1; SMN2 (0.53) CNR2SMN1; SMN2ESR1MAPTMAPK10
SCHEMBL4241582 0.86 POLA1 (0.46) SMN1; SMN2KMT2A
SCHEMBL4239339 0.86 HPGD (0.52) ESR1MAPTMAPK10KMT2A
SCHEMBL4246314 0.86 SMN1; SMN2 (0.50) SMN1; SMN2MAPTKMT2A
SCHEMBL4241181 0.84 KMT2A (0.54) KMT2A
SCHEMBL4239186 0.83 HPGD (0.50) MMP13SMN1; SMN2MAPTKMT2A
SCHEMBL4242333 0.81 AURKA (0.44) MMP13SMN1; SMN2ESR1MAPTMAPK10
SCHEMBL4244271 0.81 HTR2C (0.49) KLKB1MMP13EPHX2
SCHEMBL4243703 0.80 ROCK1 (0.46) MMP13MAPT

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 6 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-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 KLKB1 1965/4885KLK1 2485/4885MMP13 403/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP KLKB1 1965/4885KLK1 2485/4885MMP13 403/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KLKB1 1965/4885KLK1 2485/4885MMP13 403/4885

“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.