SCHEMBL4624746

SCHEMBL4624746

CC(=O)c1ncccc1OC(C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
MYC P01106 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSA P10619 1/20 0.33
P2RY1 P47900 1/20 0.33
NFE2L2 Q16236 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 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
SCHEMBL29781451 0.77 RAB9A (0.40) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL5928881 0.73 NFE2L2 (0.48) KDM4EALDH1A1L3MBTL1CTSANFE2L2
SCHEMBL6919963 0.73 ELANE (0.50) ALDH1A1MAPTNPSR1
SCHEMBL1281889 0.73 TSHR (0.43) ALDH1A1L3MBTL1TSHREDNRBEDNRA
SCHEMBL1371338 0.71 KMT2A (0.40) KDM4EALDH1A1L3MBTL1EDNRBEDNRA
SCHEMBL5513970 0.70 KMT2A (0.54) KDM4EALDH1A1L3MBTL1MAPTCYP3A4
SCHEMBL27888614 0.70 CHRM2 (0.39) L3MBTL1TSHR
SCHEMBL7084929 0.69 KDM4E (0.50) KDM4EALDH1A1L3MBTL1MAPTCYP3A4
SCHEMBL4691988 0.69 LTA4H (0.55) L3MBTL1MAPTTDP1
SCHEMBL29836285 0.69 LTA4H (0.55) L3MBTL1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide SMITHKLINE BEECHAM CORPORATION 2008-10-23 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-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide ACMSD, CPS1, BCAT2 KDM4E 326/4885ALDH1A1 104/4885L3MBTL1 4254/4885

“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.