SCHEMBL4242344

SCHEMBL4242344

O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1ncccc1C#CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAOB P27338 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PARP1 P09874 7/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DHODH Q02127 2/20 0.35
SYK P43405 1/20 0.35
PARP2 Q9UGN5 4/20 0.35
CDK12 Q9NYV4 3/20 0.35

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
SCHEMBL1202152 0.89 RIPK1 (0.40) RIPK1KDM4EALDH1A1GAAMAOB
Cyclohexane SCHEMBL4235777 0.85 MAOB (0.44) RIPK1KDM4EALDH1A1GAAMAOB
SCHEMBL4236059 0.83 MAOB (0.44) KDM4EGAAMAOBADORA2AADORA2B
Benzene SCHEMBL1202650 0.81 MAOB (0.46) KDM4EALDH1A1GAAMAOBADORA2A
SCHEMBL4235767 0.81 RIPK1 (0.44) RIPK1KDM4EMAOBADORA2AADORA2B
SCHEMBL4243669 0.81 KDM4E (0.41) RIPK1KDM4EALDH1A1MAOBADORA2A
SCHEMBL4242349 0.81 MAOB (0.39) RIPK1KDM4EALDH1A1GAAMAOB
SCHEMBL4248463 0.79 DHODH (0.46) KDM4EMAOBADORA2AADORA2BADORA1
SCHEMBL4247749 0.79 DHODH (0.43) KDM4EALDH1A1MAOBADORA2AADORA2B
SCHEMBL4236068 0.77 MAOB (0.43) KDM4EMAOBADORA2AADORA2BADORA1

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 RIPK1 3079/4885KDM4E 3510/4885ALDH1A1 1717/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP RIPK1 3079/4885KDM4E 3510/4885ALDH1A1 1717/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RIPK1 3079/4885KDM4E 3510/4885ALDH1A1 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.