SCHEMBL3608839

SCHEMBL3608839

COc1ccc(Br)c2sccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
KEAP1 Q14145 1/20 0.36
NQO2 P16083 2/20 0.36
ERN1 O75460 1/20 0.36
NQO1 P15559 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
NEK1 Q96PY6 6/20 0.33
IDO1 P14902 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 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
SCHEMBL910845 0.85 MAPT (0.46) MAPTTSHRKEAP1NQO2ERN1
SCHEMBL3151189 0.84 MAPT (0.51) MAPTTSHRKEAP1NQO1ALDH1A1
SCHEMBL13114314 0.78 TSHR (0.47) MAPTTSHRKEAP1NQO1KDM4E
SCHEMBL4803585 0.77 MAPT (0.43) MAPTTSHRKEAP1NQO1ALDH1A1
SCHEMBL21625566 0.74 CYP1A2 (0.33) ALDH1A1KMT2ACYP1A2
SCHEMBL3602206 0.73 IMPDH2 (0.54) MAPTTSHRKDM4EALDH1A1
SCHEMBL5153758 0.73 PTGS2 (0.40) KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL7690010 0.72 F2 (0.32) KDM4EALDH1A1
SCHEMBL6232967 0.72 CDC25B (0.49) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL4798575 0.71 MAPT (0.47) MAPTTSHRKEAP1NQO1KDM4E

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 MAPT 4707/4885TSHR 433/4885KEAP1 1056/4885

“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.