SCHEMBL6745496

SCHEMBL6745496

COCN1c2cc(Cn3cnc(C)c3C(=O)O)ccc2Sc2nccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.41
PKM P14618 2/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HDAC1 Q13547 3/20 0.32
HDAC3 O15379 2/20 0.32
CLK1 P49759 2/20 0.32
DYRK1A Q13627 1/20 0.32
ICAM1 P05362 5/20 0.32
HDAC8 Q9BY41 2/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 2/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL6745429 0.93 HDAC6 (0.39) HDAC6HDAC1HDAC3CLK1DYRK1A
SCHEMBL7145894 0.90 HDAC6 (0.40) HDAC6HDAC1HDAC3LMNATP53
SCHEMBL6745707 0.87 HDAC6 (0.39) HDAC6PKMGAATSHRHDAC1
SCHEMBL6745421 0.86 HDAC6 (0.39) HDAC6HDAC1HDAC3ICAM1
SCHEMBL6745546 0.85 HDAC6 (0.38) HDAC6
SCHEMBL6749007 0.85 HDAC6 (0.37) HDAC6
SCHEMBL6750215 0.84 HDAC6 (0.36) HDAC6CLK1
SCHEMBL6752124 0.83 HDAC6 (0.36) HDAC6ICAM1
SCHEMBL6745797 0.83 HDAC6 (0.41) HDAC6HDAC1HDAC3ICAM1
SCHEMBL7145899 0.83 HDAC6 (0.40) HDAC6HDAC1HDAC3ICAM1

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 1953/4885PKM 2494/4885GAA 2552/4885

“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.