SCHEMBL7144049

SCHEMBL7144049

COc1ccc(CNC2CCCCC2)c2cc(C(=O)N3CCCC3)oc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.56
ADRA2B P18089 4/20 0.56
ADRA2C P18825 4/20 0.56
NPC1 O15118 3/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 2/20 0.39

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
SCHEMBL6837642 1.00 ADRA2A (0.56) ADRA2AADRA2BADRA2CNPC1MEN1
SCHEMBL6833398 1.00 ADRA2A (0.56) ADRA2AADRA2BADRA2CNPC1MEN1
SCHEMBL6837405 0.99 ADRA2A (0.56) ADRA2AADRA2BADRA2CNPC1MEN1
SCHEMBL6837532 0.92 ADRA2A (0.52) ADRA2AADRA2BADRA2CNPC1MEN1
SCHEMBL6833377 0.87 ADRA2A (0.55) ADRA2AADRA2BADRA2CNPC1KDM4E
SCHEMBL6833406 0.86 ADRA2A (0.56) ADRA2AADRA2BADRA2CNPC1MEN1
SCHEMBL6837591 0.85 MEN1 (0.48) ADRA2AADRA2BADRA2CNPC1MEN1
SCHEMBL6837851 0.85 MEN1 (0.48) ADRA2AADRA2BADRA2CNPC1MEN1
SCHEMBL6837984 0.85 MEN1 (0.48) ADRA2AADRA2BADRA2CNPC1MEN1
SCHEMBL6837639 0.85 MEN1 (0.48) ADRA2AADRA2BADRA2CNPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.