SCHEMBL6745707

SCHEMBL6745707

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.39
SCD O00767 1/20 0.35
PKM P14618 2/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
ICAM1 P05362 9/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
KCNH2 Q12809 1/20 0.30
CLK1 P49759 1/20 0.30
DYRK1A Q13627 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
SCHEMBL6749663 0.92 HDAC6 (0.39) HDAC6SCDICAM1HDAC3HDAC1
SCHEMBL7149128 0.90 HDAC6 (0.38) HDAC6SCDGAAICAM1HDAC3
SCHEMBL7144509 0.88 HDAC6 (0.35) HDAC6SCDICAM1HDAC3HDAC1
SCHEMBL6745496 0.87 HDAC6 (0.41) HDAC6PKMGAATSHRICAM1
SCHEMBL6745905 0.86 HDAC6 (0.37) HDAC6
SCHEMBL6750198 0.84 HDAC6 (0.36) HDAC6ICAM1CLK1DYRK1A
SCHEMBL6750191 0.84 HDAC6 (0.36) HDAC6ICAM1CLK1DYRK1A
SCHEMBL6745497 0.84 HDAC6 (0.36) HDAC6
SCHEMBL6745429 0.83 HDAC6 (0.39) HDAC6ICAM1HDAC3HDAC1CLK1
SCHEMBL6750372 0.83 HDAC6 (0.36) HDAC6ICAM1

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 4781/4885PKM 2494/4885

“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.