SCHEMBL6749663

SCHEMBL6749663

COCN1c2cc(Cn3cnc(C(N)=O)c3C)ccc2Sc2nccnc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.39
SCD O00767 1/20 0.38
ICAM1 P05362 3/20 0.33
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
KCNH2 Q12809 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
SCHEMBL6745707 0.92 HDAC6 (0.39) HDAC6SCDICAM1HDAC3HDAC1
SCHEMBL7149128 0.89 HDAC6 (0.38) HDAC6SCDICAM1HDAC3HDAC1
SCHEMBL7144509 0.86 HDAC6 (0.35) HDAC6SCDICAM1HDAC3HDAC1
SCHEMBL6745905 0.85 HDAC6 (0.37) HDAC6
SCHEMBL6747409 0.85 HDAC6 (0.36) HDAC6ICAM1
SCHEMBL6745497 0.83 HDAC6 (0.36) HDAC6
SCHEMBL6750372 0.83 HDAC6 (0.36) HDAC6ICAM1
SCHEMBL6745496 0.83 HDAC6 (0.41) HDAC6ICAM1HDAC3HDAC1HDAC4
SCHEMBL6745429 0.83 HDAC6 (0.39) HDAC6ICAM1HDAC3HDAC1
SCHEMBL6745421 0.82 HDAC6 (0.39) HDAC6ICAM1HDAC3HDAC1

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 1953/4885SCD 4781/4885ICAM1 412/4885

“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.