SCHEMBL6749078

SCHEMBL6749078

COCN1c2cc(Cn3ccc4cccnc43)ccc2Sc2nccnc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.37
MTNR1A P48039 1/20 0.33
DAO P14920 1/20 0.32
SLC22A12 Q96S37 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
CSF1R P07333 1/20 0.31
PTK2 Q05397 1/20 0.31
HSPA9 P38646 1/20 0.30
MET P08581 1/20 0.30
THRB P10828 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
SCHEMBL6750355 0.79 HDAC6 (0.36) HDAC6HDAC3HDAC1THRB
SCHEMBL6747245 0.79 HDAC6 (0.39) HDAC6HDAC1
SCHEMBL6749035 0.78 HTT (0.44) HDAC6
SCHEMBL6746539 0.78 HDAC6 (0.41) HDAC6HDAC3HDAC1HSPA9
SCHEMBL6747294 0.78 HDAC6 (0.39) HDAC6HDAC3HDAC1
SCHEMBL6749064 0.78 HDAC6 (0.41) HDAC6HDAC3HDAC1THRB
SCHEMBL6749379 0.78 HDAC6 (0.37) HDAC6
SCHEMBL6749755 0.78 HDAC6 (0.39) HDAC6HDAC3HDAC1THRB
SCHEMBL6745797 0.77 HDAC6 (0.41) HDAC6HDAC3HDAC1
SCHEMBL6747445 0.77 HDAC6 (0.39) 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 1953/4885MTNR1A 1857/4885DAO 2391/4885

“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.