SCHEMBL6837591

SCHEMBL6837591

COc1ccc(CNC2CCCCCCC2)c2cc(C(=O)NC3CCCCC3)oc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ADRA2A P08913 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADORA2A P29274 2/20 0.47
ADORA2B P29275 1/20 0.47
ALDH1A1 P00352 2/20 0.46
EPHX1 P07099 1/20 0.46
ADORA1 P30542 1/20 0.45
NPC1 O15118 1/20 0.44
CNR2 P34972 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6837639 1.00 MEN1 (0.48) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL6837851 1.00 MEN1 (0.48) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL6837984 1.00 MEN1 (0.48) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL6836654 0.99 MEN1 (0.47) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL6837912 0.99 MEN1 (0.47) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL6837852 0.99 ADRA2A (0.49) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL6837775 0.98 ADRA2A (0.48) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL6837962 0.92 KMT2A (0.48) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL6837726 0.91 ADRA2A (0.49) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL6837310 0.90 ADRA2A (0.47) MEN1KMT2AADRA2AADRA2BADRA2C

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 MEN1 4379/4885KMT2A 4289/4885ADRA2A 1965/4885

“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.