SCHEMBL1200601

SCHEMBL1200601

[c]1ncccc1C=Cc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.58
CYP11B2 P19099 1/20 0.58
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.47
JUN P05412 1/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
ALOX5 P09917 3/20 0.46
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
VCP P55072 1/20 0.45
TDO2 P48775 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GRM4 Q14833 1/20 0.44
CYP2A6 P11509 1/20 0.44

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
SCHEMBL5576077 0.83 CYP11B1 (0.48) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL29691623 0.80 CYP11B1 (0.86) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL29691639 0.80 CYP11B1 (0.86) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL29691514 0.78 CYP11B1 (0.82) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL29691464 0.78 CYP11B1 (0.82) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL29691548 0.78 CYP11B1 (0.82) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL29691532 0.78 CYP11B1 (0.82) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL29419007 0.76 CYP11B1 (0.86) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL31668803 0.74 CYP11B2 (1.00) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL5496395 0.74 CYP11B2 (1.00) CYP11B1CYP11B2NPC1RAB9AMEN1

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 4 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 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-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 (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 CYP11B1 578/4885CYP11B2 624/4885NPC1 188/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP CYP11B1 667/4885CYP11B2 744/4885NPC1 190/4885

“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.