SCHEMBL3606665

SCHEMBL3606665

N#Cc1ccc(O)c2ccsc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 6/20 0.34
UPP1 Q16831 1/20 0.32
SNCA P37840 1/20 0.32
XDH P47989 2/20 0.31
SLC22A12 Q96S37 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
FEN1 P39748 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ESR1 P03372 2/20 0.30
ESR2 Q92731 2/20 0.30
IDO1 P14902 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL4804959 0.85 NEK1 (0.34) NEK1UPP1SNCAXDHSLC22A12
SCHEMBL19631236 0.84 NEK1 (0.37) NEK1DYRK1A
SCHEMBL1363857 0.77 TRPV4 (0.37) NEK1DYRK1A
SCHEMBL11661739 0.77 IDO1 (0.39) NEK1SNCAIDO1DYRK1A
SCHEMBL3602206 0.73 IMPDH2 (0.54) MAOAMAOB
SCHEMBL31097396 0.73 LRRK2 (0.35) DYRK1A
SCHEMBL31097398 0.73 LRRK2 (0.35) DYRK1A
SCHEMBL22122277 0.70 CSNK2A2 (0.37) NEK1XDHIDO1
SCHEMBL22122313 0.69 IDO1 (0.33) NEK1IDO1
SCHEMBL911722 0.69 NEK1 (0.33) NEK1ESR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 NEK1 2343/4885UPP1 4720/4885SNCA 4463/4885

“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.