SCHEMBL6837576

SCHEMBL6837576

COc1ccccc1NC(=O)c1cc2c(CNC3CCCC(C)C3C)ccc(OC)c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
THRB P10828 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
TSHR P16473 2/20 0.40

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
SCHEMBL6837867 0.90 ADRA2A (0.43) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL6836842 0.88 KMT2A (0.52) THRBNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6836436 0.87 HTT (0.45) SMN1; SMN2L3MBTL1KMT2AMEN1ADRA2A
SCHEMBL6839492 0.86 TSHR (0.46) TAS1R3TAS1R1NPC1RAB9ASMN1; SMN2
SCHEMBL6837534 0.86 KMT2A (0.54) THRBNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6836802 0.85 ADRA2A (0.42) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL6839441 0.85 ADRA2A (0.43) THRBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6839444 0.84 ADRA2A (0.45) NPC1KMT2AMEN1ADRA2AADRA2B
SCHEMBL6833344 0.84 ALDH1A1 (0.39) THRBKMT2AMEN1GAAADRA2A
SCHEMBL6837928 0.84 ADRA2A (0.41) SMN1; SMN2PDE4APDE4BPDE4CPDE4D

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 TAS1R3 2047/4885TAS1R1 1071/4885THRB 1933/4885

“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.