SCHEMBL17433997

SCHEMBL17433997

COCc1cccc2nc(N)ccc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.51
NCF1 P14598 18/20 0.51
CYBB P04839 6/20 0.50
NOX5 Q96PH1 1/20 0.50
NOS2 P35228 1/20 0.41

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
SCHEMBL17434096 0.86 NCF1 (0.55) BACE1NCF1CYBBNOX5
SCHEMBL17433987 0.83 NCF1 (0.51) BACE1NCF1CYBBNOX5
SCHEMBL17434083 0.83 TUBB4A (0.42)
SCHEMBL17434479 0.79 PDE10A (0.45) NCF1
SCHEMBL17433815 0.79 NCF1 (0.44) BACE1NCF1CYBBNOX5
SCHEMBL17433770 0.77 BACE1 (0.56) BACE1NCF1CYBBNOX5NOS2
SCHEMBL17433995 0.77 BACE1 (0.61) BACE1NCF1CYBBNOX5NOS2
SCHEMBL31525343 0.76 MGAM (0.49)
SCHEMBL21195641 0.75 NCF1 (0.63) BACE1NCF1CYBBNOX5
SCHEMBL17434052 0.75 BACE1 (0.50) 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.