SCHEMBL4237808

SCHEMBL4237808

O=C(Nc1nc2cccc(C(=O)O)c2[nH]1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.66
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 1/20 0.66
IRAK4 Q9NWZ3 8/20 0.54
ALDH1A1 P00352 1/20 0.54
ERO1A Q96HE7 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.49
SCD O00767 2/20 0.48
MMP13 P45452 1/20 0.48
PKM P14618 1/20 0.47
MAOB P27338 1/20 0.47
ADORA2A P29274 1/20 0.47
POLB P06746 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
SCHEMBL4235245 0.85 NPC1 (0.63) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1202225 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4235191 0.83 NPC1 (0.63) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4235573 0.83 NPC1 (0.63) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11703856 0.82 NPC1 (0.67) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4243659 0.81 PPARG (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4241952 0.81 NPC1 (0.48) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4243716 0.81 RAB9A (0.65) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL16562030 0.80 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4235528 0.78 NPC1 (0.64) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 SMN1; SMN2 1971/4885NPC1 188/4885RAB9A 2719/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP SMN1; SMN2 1971/4885NPC1 188/4885RAB9A 2719/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP SMN1; SMN2 1971/4885NPC1 188/4885RAB9A 2719/4885

“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.