SCHEMBL6747174

SCHEMBL6747174

CCc1cc(C=Cc2ccc3c(c2)N(COC)c2nccnc2S3)ccc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 4/20 0.31
HSD17B10 Q99714 3/20 0.31
CSNK1E P49674 3/20 0.31
CLK1 P49759 3/20 0.31
CLK3 P49761 3/20 0.31
DYRK1A Q13627 3/20 0.31
DYRK1B Q9Y463 3/20 0.31
ALDH1A1 P00352 3/20 0.31
PIM1 P11309 2/20 0.31
CSNK1D P48730 2/20 0.31
CSNK1G2 P78368 2/20 0.31
MAP3K19 Q56UN5 2/20 0.31
PIM3 Q86V86 2/20 0.31
CSNK1G3 Q9Y6M4 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31

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
SCHEMBL8319481 0.86 HDAC6 (0.42) HDAC6MAPTL3MBTL1
SCHEMBL8319484 0.86 HDAC6 (0.42) HDAC6MAPTL3MBTL1
SCHEMBL6747666 0.84 KDM4E (0.40) HDAC6HSD17B10ALDH1A1SMN1; SMN2LMNA
SCHEMBL6747555 0.82 HDAC6 (0.44) HDAC6MAPTALDH1A1LMNAMEN1
SCHEMBL6752015 0.81 HDAC6 (0.37) HDAC6MAPTHSD17B10CSNK1ECLK1
SCHEMBL6752012 0.81 HDAC6 (0.37) HDAC6MAPTHSD17B10CSNK1ECLK1
SCHEMBL6747171 0.81 PABPC1 (0.41) HDAC6ALDH1A1SMN1; SMN2LMNAAPOBEC3A
SCHEMBL6749131 0.81 MAPT (0.39) HDAC6MAPTHSD17B10DYRK1AALDH1A1
SCHEMBL6749127 0.81 MAPT (0.39) HDAC6MAPTHSD17B10DYRK1AALDH1A1
SCHEMBL6749215 0.80 HDAC6 (0.34) HDAC6ALDH1A1CYP3A4

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-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 HDAC6 1953/4885MAPT 1257/4885HSD17B10 2064/4885

“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.