SCHEMBL1201645

SCHEMBL1201645

CC(C)c1nc(C(=O)Nc2nc3c(C(=O)Nc4ncc[nH]4)cccc3[nH]2)cc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
PTGES O14684 7/20 0.41
MAOB P27338 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 2/20 0.38
HSP90AA1 P07900 1/20 0.38
PAX8 Q06710 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
KLF5 Q13887 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1201052 0.88 MAOB (0.41) SMN1; SMN2PTGESMAOBADORA2AADORA2B
SCHEMBL1201928 0.87 PTGES (0.41) SMN1; SMN2PTGESMAOBADORA2AADORA2B
SCHEMBL12845750 0.84 PTGES (0.38) SMN1; SMN2PTGESMAOBADORA2AADORA2B
SCHEMBL12881192 0.83 RIPK1 (0.40) SMN1; SMN2PTGESMAOBADORA2AADORA2B
SCHEMBL1201599 0.83 NPC1 (0.46) SMN1; SMN2MAOBADORA2AADORA2BADORA1
SCHEMBL1201439 0.82 NPC1 (0.39) SMN1; SMN2PTGESMAOBADORA2AADORA2B
SCHEMBL1201879 0.82 MAOB (0.43) SMN1; SMN2MAOBADORA2AADORA2BADORA1
SCHEMBL1201079 0.82 RIPK1 (0.38) SMN1; SMN2MAOBADORA2AADORA2BADORA1
SCHEMBL1201705 0.82 PTGES (0.38) SMN1; SMN2PTGESMAOBADORA2AADORA2B
SCHEMBL9611657 0.82 SMN1; SMN2 (0.41) SMN1; SMN2PTGESMAOBADORA2AADORA2B

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 10 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
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-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 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
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 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 (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 SMN1; SMN2 1971/4885PTGES 2022/4885MAOB 269/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP SMN1; SMN2 2050/4885PTGES 2274/4885MAOB 127/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP SMN1; SMN2 1971/4885PTGES 2022/4885MAOB 269/4885

“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.