SCHEMBL4241396

SCHEMBL4241396

O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cccc(C#Cc2ccc(F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.44
MAOB P27338 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41
KDM4A O75164 1/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PARP1 P09874 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
SCHEMBL1202645 0.92 MAOB (0.48) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4244210 0.91 MAOB (0.46) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4239400 0.90 DHODH (0.45) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4241735 0.88 NPC1 (0.44) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4244175 0.88 MAOB (0.45) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4246134 0.88 NPC1 (0.42) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL1202776 0.86 NPC1 (0.39) MAOBADORA2AADORA2BADORA1NPC1
SCHEMBL4241562 0.85 NPC1 (0.45) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4243775 0.85 DHODH (0.41) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4243760 0.85 DHODH (0.43) DHODHMAOBADORA2AADORA2BADORA1

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 DHODH 907/4885MAOB 269/4885ADORA2A 3841/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP DHODH 907/4885MAOB 269/4885ADORA2A 3841/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP DHODH 907/4885MAOB 269/4885ADORA2A 3841/4885

“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.