SCHEMBL5095022

SCHEMBL5095022

NCc1cc(-c2ccc3c(c2)CCO3)nn(CCCc2ccc(Cl)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
LYPLAL1 Q5VWZ2 1/20 0.38
DYRK1A Q13627 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PTGDR Q13258 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
P2RX3 P56373 3/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CXCR3 P49682 1/20 0.34
GCGR P47871 1/20 0.33
PKM P14618 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL5094854 0.91 GSK3B (0.41) GSK3BLYPLAL1DYRK1AMAPTRAB9A
SCHEMBL5094925 0.87 GSK3B (0.44) GSK3BDYRK1AMAPTRAB9ASMN1; SMN2
SCHEMBL5098233 0.87 GSK3B (0.38) GSK3BSMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL5108095 0.86 GSK3B (0.37) GSK3BLYPLAL1MAPTPDE4APDE4B
SCHEMBL5098396 0.85 GSK3B (0.42) GSK3BPDE4APDE4BPDE4CPDE4D
SCHEMBL5094916 0.80 GSK3B (0.44) GSK3BLYPLAL1DYRK1AMAPTRAB9A
SCHEMBL5102003 0.79 GSK3B (0.46) GSK3BDYRK1AMAPTRAB9ASMN1; SMN2
SCHEMBL5098172 0.78 GSK3B (0.41) GSK3BLYPLAL1MAPTSMN1; SMN2P2RX3
SCHEMBL5108392 0.78 GSK3B (0.44) GSK3BDYRK1AMAPTRAB9ASMN1; SMN2
SCHEMBL5098222 0.78 DYRK1A (0.41) DYRK1AMAPTRAB9ASMN1; SMN2PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314877-B2 Benzofuran derivative KOWA CO., LTD. (JP) 2008-01-01 US claimed
US-20060189621-A1 Benzofuran derivative KOWA CO., LTD. (JP) 2006-08-24 US claimed
EP-1602655-A1 BENZOFURAN DERIVATIVE Kowa Co., Ltd. (JP) 2005-12-07 EP claimed
US-7314877-B2 Benzofuran derivative KOWA CO., LTD. (JP) 2008-01-01 US disclosed
US-20060189621-A1 Benzofuran derivative KOWA CO., LTD. (JP) 2006-08-24 US disclosed
EP-1602655-A1 BENZOFURAN DERIVATIVE Kowa Co., Ltd. (JP) 2005-12-07 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-20060189621-A1 Benzofuran derivative TNF, TNFRSF1A, RELA GSK3B 3567/4885LYPLAL1 3666/4885DYRK1A 4821/4885

“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.