SCHEMBL6749216

SCHEMBL6749216

COCN1c2cc(C=CCO)ccc2Sc2nccnc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
MMP9 P14780 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL6749215 1.00 HDAC6 (0.34) HDAC6ALDH1A1CYP3A4RECQLMMP9
SCHEMBL6749394 0.89 HDAC6 (0.34) HDAC6
SCHEMBL6749401 0.89 HDAC6 (0.34) HDAC6
SCHEMBL6751926 0.86 HDAC6 (0.38) HDAC6
SCHEMBL6749127 0.85 MAPT (0.39) HDAC6ALDH1A1CYP3A4
SCHEMBL6749131 0.85 MAPT (0.39) HDAC6ALDH1A1CYP3A4
SCHEMBL6747666 0.85 KDM4E (0.40) HDAC6ALDH1A1RECQL
SCHEMBL6747667 0.85 KDM4E (0.40) HDAC6ALDH1A1RECQL
SCHEMBL6752012 0.84 HDAC6 (0.37) HDAC6ALDH1A1CYP3A4
SCHEMBL6752015 0.84 HDAC6 (0.37) 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 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 1953/4885ALDH1A1 145/4885CYP3A4 35/4885

“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.