SCHEMBL6836858

SCHEMBL6836858

COc1ccccc1NC(=O)c1cc2c(CN3CCCC3)ccc(OC)c2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.51
ADRA2B P18089 4/20 0.51
ADRA2C P18825 4/20 0.51
ALDH1A1 P00352 2/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL6837879 0.92 ADRA2A (0.52) ADRA2AADRA2BADRA2CALDH1A1THRB
SCHEMBL6837970 0.89 ADRA2A (0.52) ADRA2AADRA2BADRA2CALDH1A1SMN1; SMN2
SCHEMBL6837901 0.88 ADRA2A (0.51) ADRA2AADRA2BADRA2CL3MBTL1PDE4A
SCHEMBL6837782 0.84 ADRA2A (0.51) ADRA2AADRA2BADRA2CALDH1A1SMN1; SMN2
SCHEMBL6839181 0.84 ADRA2A (0.56) ADRA2AADRA2BADRA2CALDH1A1SMN1; SMN2
SCHEMBL6839482 0.83 ADRA2A (0.55) ADRA2AADRA2BADRA2CSMN1; SMN2L3MBTL1
SCHEMBL6837816 0.83 LMNA (0.59) ADRA2AADRA2BADRA2CALDH1A1THRB
SCHEMBL6836842 0.83 KMT2A (0.52) ADRA2AADRA2BADRA2CALDH1A1THRB
SCHEMBL6837554 0.83 ADRA2A (0.58) ADRA2AADRA2BADRA2CALDH1A1THRB
SCHEMBL6833343 0.82 RXFP1 (0.55) ADRA2AADRA2BADRA2CALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 ADRA2A 1965/4885ADRA2B 1631/4885ADRA2C 1669/4885

“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.