SCHEMBL6749757

SCHEMBL6749757

COCN1c2cc(Cn3ccnc3C(=O)c3ccccn3)ccc2Sc2nccnc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.41
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 4/20 0.33
HDAC3 O15379 3/20 0.33
THRB P10828 1/20 0.33
HDAC8 Q9BY41 3/20 0.32
HDAC4 P56524 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
PKM P14618 1/20 0.32
CLK1 P49759 2/20 0.32
DYRK1A Q13627 2/20 0.32

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
SCHEMBL6745797 0.87 HDAC6 (0.41) HDAC6RAB9ANPC1SMN1; SMN2HDAC1
SCHEMBL8319285 0.85 HDAC6 (0.41) HDAC6RAB9ANPC1SMN1; SMN2HDAC1
SCHEMBL6750238 0.85 HDAC6 (0.42) HDAC6RAB9ANPC1SMN1; SMN2HDAC1
SCHEMBL6750196 0.83 HDAC6 (0.44) HDAC6RAB9ANPC1SMN1; SMN2HDAC1
SCHEMBL6749755 0.81 HDAC6 (0.39) HDAC6HDAC1HDAC3THRBHDAC8
SCHEMBL6750359 0.80 TDP1 (0.41) HDAC6HDAC1HDAC3
SCHEMBL6749035 0.79 HTT (0.44) HDAC6RAB9A
SCHEMBL6749379 0.78 HDAC6 (0.37) HDAC6
SCHEMBL6750355 0.78 HDAC6 (0.36) HDAC6HDAC1HDAC3THRB
SCHEMBL6747454 0.77 HDAC6 (0.43) HDAC6SMN1; SMN2HDAC1HDAC3THRB

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 1953/4885RAB9A 1768/4885NPC1 2875/4885

“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.