SCHEMBL17433770

SCHEMBL17433770

Nc1ccc2c(CO)cccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.56
NCF1 P14598 14/20 0.51
CYBB P04839 5/20 0.50
NOX5 Q96PH1 1/20 0.50
NOS2 P35228 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
HPGD P15428 1/20 0.42
NQO2 P16083 1/20 0.42
MAOA P21397 1/20 0.42
DRD1 P21728 1/20 0.42
ACHE P22303 1/20 0.42
SLC6A2 P23975 1/20 0.42
CASP1 P29466 1/20 0.42
ADRA1A P35348 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
SCHEMBL17471667 0.85 BACE1 (0.53) BACE1NCF1CYBBNOX5NOS2
SCHEMBL13349519 0.81 MAOA (0.42) BACE1KDM4EALDH1A1GLAMAOA
SCHEMBL17433995 0.81 BACE1 (0.61) BACE1NCF1CYBBNOX5NOS2
SCHEMBL13349520 0.78 KDM4E (0.42) KDM4EALDH1A1GLACHRM2ADRA2A
SCHEMBL832149 0.78 BACE1 (0.58) BACE1NCF1KDM4EALDH1A1GLA
SCHEMBL28319501 0.77 DCPS (0.43) KDM4EALDH1A1GLACHRM2ADRA2A
SCHEMBL17433997 0.77 BACE1 (0.51) BACE1NCF1CYBBNOX5NOS2
SCHEMBL1133378 0.76 BACE1 (0.60) BACE1NCF1CYBBNOX5NOS2
SCHEMBL3431601 0.75 BACE1 (0.64) BACE1NCF1CYBBNOX5NOS2
SCHEMBL29769305 0.75 BACE1 (0.64) BACE1NCF1CYBBNOX5NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464076-B2 Benzothiophene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-11 US disclosed
US-9464076-B2 Benzothiophene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-11 US disclosed
US-9464076-B2 Benzothiophene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-11 US disclosed
US-20160024060-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-28 US disclosed
US-20160024060-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-28 US disclosed
US-20160024060-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-28 US disclosed
EP-2975037-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-20 EP disclosed
EP-2975037-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-20 EP 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 (1 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-20160024060-A1 BENZOTHIOPHENE DERIVATIVE PDE10A, PDE5A, PDE3B BACE1 1405/4885NCF1 2031/4885CYBB 2467/4885

“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.