SCHEMBL17433765

SCHEMBL17433765

CN(C)C(=O)c1cccc2nc(N)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NCF1 P14598 6/20 0.46
CYBB P04839 2/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GLA P06280 1/20 0.41
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL17433840 0.84 MEN1 (0.46) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL17433767 0.82 BACE1 (0.51) BACE1KMT2ANCF1CYBBTP53
SCHEMBL17433795 0.78 KDM4E (0.52) BACE1MEN1KMT2ANCF1CYBB
SCHEMBL5304396 0.75 KMT2A (0.50) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL827255 0.74 NSD2 (0.51) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL17433794 0.72 KMT2A (0.54) BACE1MEN1KMT2AKDM4EALDH1A1
SCHEMBL13403458 0.71 GABRP (0.65) MEN1KMT2ASMN1; SMN2KDM4EGLA
SCHEMBL10760283 0.71 TSHR (0.72) MEN1KMT2ASMN1; SMN2KDM4ECYP3A4
SCHEMBL10407111 0.71 NR4A1 (0.59) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3085054 0.70 CYP2D6 (0.45) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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 1405/4885MEN1 2442/4885KMT2A 2674/4885

“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.