SCHEMBL6747458

SCHEMBL6747458

COCN1c2cc(CC=O)ccc2Sc2nccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.40
ICAM1 P05362 4/20 0.31
CLK1 P49759 4/20 0.31
THRB P10828 1/20 0.31
DYRK1A Q13627 3/20 0.30
PIM1 P11309 2/20 0.30
CSNK1D P48730 2/20 0.30
CSNK1E P49674 2/20 0.30
CLK3 P49761 2/20 0.30
CSNK1G2 P78368 2/20 0.30
MAP3K19 Q56UN5 2/20 0.30
PIM3 Q86V86 2/20 0.30
HSD17B10 Q99714 2/20 0.30
DYRK1B Q9Y463 2/20 0.30
CSNK1G3 Q9Y6M4 2/20 0.30
GAA P10253 1/20 0.30
APOBEC3A P31941 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
MEN1 O00255 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
SCHEMBL6749072 0.90 HDAC6 (0.38) HDAC6
SCHEMBL6751926 0.88 HDAC6 (0.38) HDAC6
SCHEMBL6749341 0.87 HDAC6 (0.39) HDAC6THRB
SCHEMBL6749473 0.86 HDAC6 (0.35) HDAC6
SCHEMBL6749761 0.86 HDAC6 (0.40) HDAC6ICAM1CLK1THRBDYRK1A
SCHEMBL6749766 0.86 HDAC6 (0.40) HDAC6ICAM1CLK1THRBDYRK1A
SCHEMBL6745548 0.86 HDAC6 (0.36) HDAC6CLK1THRBDYRK1APIM1
SCHEMBL6747294 0.86 HDAC6 (0.39) HDAC6ICAM1
SCHEMBL6749064 0.86 HDAC6 (0.41) HDAC6ICAM1THRB
SCHEMBL6746539 0.86 HDAC6 (0.41) 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 2 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

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 1953/4885ICAM1 412/4885CLK1 4545/4885

“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.