SCHEMBL17433795

SCHEMBL17433795

COC(=O)c1cccc2nc(N)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 5/20 0.49
CFTR P13569 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
BACE1 P56817 1/20 0.47
GAA P10253 2/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.45
PDE4B Q07343 1/20 0.45
NCF1 P14598 6/20 0.44
CYBB P04839 2/20 0.44
PKM P14618 2/20 0.44
PLIN1 O60240 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 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
SCHEMBL10263150 0.84 KDM4E (0.68) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL29364387 0.84 KDM4E (0.68) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL1133932 0.83 KDM4E (0.54) KDM4EALDH1A1CFTRHSD17B10KMT2A
SCHEMBL16131036 0.83 KMT2A (0.56) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL17433767 0.82 BACE1 (0.51) HSD17B10KMT2ABACE1GAAMAPT
SCHEMBL27933307 0.81 KDM4E (0.52) KDM4EALDH1A1CFTRHSD17B10KMT2A
SCHEMBL17434216 0.81 KDM4E (0.68) KDM4EALDH1A1CFTRHSD17B10KMT2A
SCHEMBL26613475 0.79 PLA2G2A (0.56) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL17433765 0.78 BACE1 (0.47) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL4631555 0.76 MCHR1 (0.54) KDM4EALDH1A1CFTRHSD17B10KMT2A

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 KDM4E 1707/4885ALDH1A1 435/4885CFTR 568/4885

“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.