SCHEMBL6750191

SCHEMBL6750191

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.36
ICAM1 P05362 3/20 0.34
CLK1 P49759 4/20 0.31
DYRK1A Q13627 3/20 0.31
TBXAS1 P24557 3/20 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
SCHEMBL6750198 1.00 HDAC6 (0.36) HDAC6ICAM1CLK1DYRK1ATBXAS1
SCHEMBL6747409 0.93 HDAC6 (0.36) HDAC6ICAM1CLK1DYRK1A
SCHEMBL7144505 0.91 HDAC6 (0.35) HDAC6CLK1
SCHEMBL6745497 0.87 HDAC6 (0.36) HDAC6
SCHEMBL6745707 0.84 HDAC6 (0.39) HDAC6ICAM1CLK1DYRK1A
SCHEMBL6745393 0.83 HDAC6 (0.35) HDAC6ICAM1
SCHEMBL6745389 0.83 HDAC6 (0.35) HDAC6ICAM1
SCHEMBL7149141 0.82 HDAC6 (0.37) HDAC6ICAM1CLK1DYRK1ATBXAS1
SCHEMBL7144509 0.82 HDAC6 (0.35) HDAC6ICAM1
SCHEMBL6749663 0.82 HDAC6 (0.39) HDAC6ICAM1

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 1953/4885ICAM1 412/4885CLK1 4545/4885

“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.