SCHEMBL4243702

SCHEMBL4243702

O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.62
MAOB P27338 3/20 0.58
ADORA2A P29274 3/20 0.58
ADORA2B P29275 1/20 0.58
ADORA1 P30542 1/20 0.58
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
PKM P14618 6/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
CHEK2 O96017 1/20 0.51
KLF5 Q13887 2/20 0.50
SCD O00767 1/20 0.50
MTOR P42345 1/20 0.50
GRM5 P41594 1/20 0.49
NR1H4 Q96RI1 2/20 0.48
SERPINE1 P05121 1/20 0.47
OPRK1 P41145 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL4243685 0.87 DHODH (0.53) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4243664 0.87 DHODH (0.62) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL1201370 0.85 MAOB (0.50) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4239744 0.85 MAOB (0.56) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4248500 0.84 ALDH1A1 (0.54) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4244245 0.84 MAOB (0.65) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4239792 0.82 NPC1 (0.65) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4240247 0.82 KDM4E (0.61) MAOBADORA2AADORA2BADORA1NPC1
SCHEMBL4238754 0.81 MAOB (0.55) DHODHMAOBADORA2AADORA2BADORA1
SCHEMBL4235830 0.80 NPC1 (0.61) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US claimed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP claimed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP claimed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO claimed
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-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP 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.