SCHEMBL1201400

SCHEMBL1201400

O=C(Nc1nc2cccc(C(=O)Nc3ncc[nH]3)c2[nH]1)c1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.48
RAB9A P51151 11/20 0.48
SMN1; SMN2 Q16637 9/20 0.48
TP53 P04637 5/20 0.48
NFKB1 P19838 4/20 0.48
NFKB2 Q00653 4/20 0.48
RELA Q04206 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
POLB P06746 1/20 0.45
GAA P10253 2/20 0.44
PKM P14618 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 3/20 0.43

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
SCHEMBL1202260 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL1202178 0.87 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL1200804 0.86 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL1202229 0.85 NPC1 (0.63) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL1202182 0.84 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL1201839 0.83 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL1202067 0.83 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL1201610 0.83 IRAK4 (0.40) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL1201716 0.82 HPGDS (0.54) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL1200688 0.81 IRAK4 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US 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
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-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 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 NPC1 188/4885RAB9A 2719/4885SMN1; SMN2 1971/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP NPC1 190/4885RAB9A 2474/4885SMN1; SMN2 2050/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885SMN1; SMN2 1971/4885

“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.