SCHEMBL4243669

SCHEMBL4243669

CC(C)(C)C#Cc1cccnc1C(=O)Nc1nc2c(C(=O)O)cccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
DHODH Q02127 4/20 0.38
PARP1 P09874 4/20 0.37
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RIPK1 Q13546 1/20 0.35
KDR P35968 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 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
SCHEMBL1201899 0.88 RAB9A (0.37) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL4236059 0.86 MAOB (0.44) KDM4EHPGDMAOBADORA2AADORA2B
Benzene SCHEMBL1202650 0.85 MAOB (0.46) KDM4EHPGDMAOBADORA2AADORA2B
SCHEMBL4248463 0.82 DHODH (0.46) KDM4EHPGDMAOBADORA2AADORA2B
Cyclohexane SCHEMBL4235777 0.82 MAOB (0.44) KDM4EHPGDMAOBADORA2AADORA2B
SCHEMBL4247749 0.82 DHODH (0.43) KDM4EHPGDMAOBADORA2AADORA2B
Toluene SCHEMBL4243778 0.82 MAOB (0.44) KDM4EHPGDMAOBADORA2AADORA2B
SCHEMBL4242344 0.81 RIPK1 (0.43) KDM4EHPGDMAOBADORA2AADORA2B
SCHEMBL4236068 0.80 MAOB (0.43) KDM4EHPGDMAOBADORA2AADORA2B
Thiophene SCHEMBL4247759 0.80 MAOB (0.43) KDM4EHPGDMAOBADORA2AADORA2B

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 KDM4E 3510/4885HPGD 1702/4885MAOB 269/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP KDM4E 3510/4885HPGD 1702/4885MAOB 269/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KDM4E 3510/4885HPGD 1702/4885MAOB 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.