SCHEMBL6747306

SCHEMBL6747306

COCN1c2cc(Cn3cnc(CCNC(=O)c4cnoc4C)c3)ccc2Sc2nccnc21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.35
RAB9A P51151 1/20 0.31
TP53 P04637 2/20 0.30
BMP1 P13497 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CG P48736 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
SCHEMBL6752483 0.85 HDAC6 (0.39) HDAC6RAB9ATP53BMP1
SCHEMBL6747383 0.83 HDAC6 (0.37) HDAC6RAB9ATP53
SCHEMBL6751792 0.80 ICAM1 (0.36) HDAC6
SCHEMBL6745872 0.79 HDAC6 (0.34) HDAC6
SCHEMBL6745906 0.73 HDAC6 (0.37) HDAC6
SCHEMBL6745900 0.73 HDAC6 (0.37) HDAC6
SCHEMBL6750296 0.73 HDAC6 (0.42) HDAC6RAB9ATP53
SCHEMBL7149141 0.71 HDAC6 (0.37) HDAC6
SCHEMBL6745468 0.70 HDAC6 (0.43) HDAC6
SCHEMBL6749091 0.70 HDAC6 (0.43) HDAC6TP53

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 1953/4885RAB9A 1768/4885TP53 550/4885

“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.