SCHEMBL6749035

SCHEMBL6749035

COCN1c2cc(Cn3ccnc3CO)ccc2Sc2nccnc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC6 Q9UBN7 2/20 0.38
HSP90B1 P14625 10/20 0.32
HSP90AA1 P07900 10/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KCNH2 Q12809 1/20 0.31
HSP90AB1 P08238 1/20 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
SCHEMBL6749064 0.86 HDAC6 (0.41) HDAC6RAB9A
SCHEMBL6745797 0.84 HDAC6 (0.41) HTTALDH1A1HDAC6RAB9A
SCHEMBL6750355 0.84 HDAC6 (0.36) HTTALDH1A1HDAC6MAPT
SCHEMBL6745905 0.83 HDAC6 (0.37) HDAC6
SCHEMBL6749379 0.83 HDAC6 (0.37) HDAC6
SCHEMBL6749007 0.82 HDAC6 (0.37) HDAC6
SCHEMBL6746519 0.82 HDAC6 (0.40) ALDH1A1HDAC6
SCHEMBL6751862 0.80 HDAC6 (0.39) HDAC6
SCHEMBL8319285 0.80 HDAC6 (0.41) ALDH1A1HDAC6MAPTRAB9A
SCHEMBL6750359 0.80 TDP1 (0.41) ALDH1A1HDAC6MAPT

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 HTT 2395/4885ALDH1A1 145/4885HDAC6 1953/4885

“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.