SCHEMBL6745548

SCHEMBL6745548

COCN1c2cc(C=O)ccc2Sc2nccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.36
FDPS P14324 1/20 0.33
MAPT P10636 5/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 8/20 0.32
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 3/20 0.31
NPSR1 Q6W5P4 3/20 0.31
PIM1 P11309 2/20 0.31
CSNK1D P48730 2/20 0.31
CSNK1E P49674 2/20 0.31
CLK1 P49759 2/20 0.31
CLK3 P49761 2/20 0.31
CSNK1G2 P78368 2/20 0.31
DYRK1A Q13627 2/20 0.31
MAP3K19 Q56UN5 2/20 0.31
PIM3 Q86V86 2/20 0.31
DYRK1B Q9Y463 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
SCHEMBL6747458 0.86 HDAC6 (0.40) HDAC6MAPTMEN1KMT2AALDH1A1
SCHEMBL6749131 0.85 MAPT (0.39) HDAC6MAPTMEN1KMT2AALDH1A1
SCHEMBL6749127 0.85 MAPT (0.39) HDAC6MAPTMEN1KMT2AALDH1A1
SCHEMBL6747314 0.85 HDAC6 (0.35) HDAC6MAPTMEN1KMT2AALDH1A1
SCHEMBL6747667 0.84 KDM4E (0.40) HDAC6KMT2AALDH1A1THRBHSD17B10
SCHEMBL6747666 0.84 KDM4E (0.40) HDAC6KMT2AALDH1A1THRBHSD17B10
SCHEMBL6749215 0.84 HDAC6 (0.34) HDAC6ALDH1A1CYP3A4
SCHEMBL6749401 0.84 HDAC6 (0.34) HDAC6
SCHEMBL6749216 0.84 HDAC6 (0.34) HDAC6ALDH1A1CYP3A4
SCHEMBL6749394 0.84 HDAC6 (0.34) HDAC6

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-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
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP 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 1953/4885FDPS 1187/4885MAPT 1257/4885

“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.