SCHEMBL1200748

SCHEMBL1200748

COc1cc(C(=O)Nc2nc3cccc(C(=O)Nc4ncc[nH]4)c3[nH]2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.52
RAB9A P51151 11/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
TP53 P04637 3/20 0.52
POLB P06746 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
USP2 O75604 1/20 0.47
PKM P14618 6/20 0.47
HSP90AA1 P07900 2/20 0.47
PAX8 Q06710 1/20 0.47
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
HTT P42858 2/20 0.45
KLF5 Q13887 1/20 0.45
HPGDS O60760 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CLK1 P49759 1/20 0.42

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
SCHEMBL1201844 0.92 RAB9A (0.62) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL13572164 0.89 RAB9A (0.49) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL4239330 0.86 RAB9A (0.55) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL1201794 0.85 RAB9A (0.60) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL1202219 0.84 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL1201837 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL1202154 0.83 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL9611616 0.82 NPC1 (0.61) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL1202067 0.82 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL1202229 0.82 NPC1 (0.63) NPC1RAB9ASMN1; SMN2TP53POLB

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 10 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
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
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO 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 (2 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

“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.