SCHEMBL4247749

SCHEMBL4247749

O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1ncccc1C#Cc1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.43
MAOB P27338 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PARP1 P09874 2/20 0.35
ALDH1A1 P00352 2/20 0.34
SLC16A3 O15427 1/20 0.34
ROCK2 O75116 1/20 0.34
KDM4A O75164 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
AGER Q15109 1/20 0.33

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
SCHEMBL4236059 0.89 MAOB (0.44) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL1202053 0.89 NPC1 (0.35) DHODHMAOBADORA2AADORA2BADORA1
Benzene SCHEMBL1202650 0.82 MAOB (0.46) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4240831 0.82 DHODH (0.43) DHODHMAOBADORA2AADORA2BADORA1
Thiophene SCHEMBL4247759 0.82 MAOB (0.43) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4243669 0.82 KDM4E (0.41) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4248463 0.80 DHODH (0.46) DHODHMAOBADORA2AADORA2BADORA1
Cyclohexane SCHEMBL4235777 0.80 MAOB (0.44) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL1202325 0.79 MAOB (0.40) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL4242344 0.79 RIPK1 (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.