SCHEMBL6745805

SCHEMBL6745805

COCN1c2cc(C(C)(O)c3cccnc3)ccc2Sc2nccnc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.35
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP3A4 P08684 1/20 0.31
HSPA9 P38646 1/20 0.30
THRB P10828 1/20 0.30
CYP19A1 P11511 2/20 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
SCHEMBL6752112 0.87 HDAC6 (0.33) HDAC6KCNH2CYP3A4CYP19A1
SCHEMBL6749039 0.78 HDAC6 (0.38) HDAC6CYP3A4THRBCYP19A1
SCHEMBL7139896 0.78 HDAC6 (0.42) HDAC6CYP3A4THRB
SCHEMBL6747195 0.78 CYP17A1 (0.38) HDAC6KCNH2CYP3A4THRB
SCHEMBL6747690 0.76 HDAC6 (0.32) HDAC6
SCHEMBL6749680 0.76 HDAC6 (0.32) HDAC6
SCHEMBL6749177 0.76 RAB9A (0.43) HDAC6CYP3A4
SCHEMBL8315505 0.75 HDAC6 (0.45) HDAC6KCNH2CYP3A4THRB
SCHEMBL6747463 0.74 HDAC6 (0.44) HDAC6KCNH2CYP3A4THRB
SCHEMBL6749064 0.74 HDAC6 (0.41) HDAC6THRB

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 1953/4885KCNA5 1174/4885KCNH2 762/4885

“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.