SCHEMBL6747564

SCHEMBL6747564

COCN1c2cc(C(=O)OC)cnc2Sc2nccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.35
PSMD14 O00487 1/20 0.34
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
AOC3 Q16853 2/20 0.32
KDM4E B2RXH2 3/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 2/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL6750179 0.83 HDAC6 (0.46) HDAC6ALDH1A1KDM4EALOX15HTT
SCHEMBL6747320 0.76 HDAC6 (0.57) HDAC6TP53
SCHEMBL8315505 0.75 HDAC6 (0.45) HDAC6ALDH1A1HTTL3MBTL1TP53
SCHEMBL6747463 0.74 HDAC6 (0.44) HDAC6MAPK1ALDH1A1HTTL3MBTL1
SCHEMBL6747555 0.74 HDAC6 (0.44) HDAC6ALDH1A1TP53POLBKDM4C
SCHEMBL6745150 0.73 HDAC6 (0.44) HDAC6ALDH1A1KDM4EALOX15HTT
SCHEMBL7144340 0.72 HDAC6 (0.42) HDAC6TP53SMN1; SMN2
SCHEMBL6750369 0.71 HDAC6 (0.41) HDAC6ALDH1A1KDM4ETP53NPC1
SCHEMBL6749176 0.70 LMNA (0.47) HDAC6MAPK1ALDH1A1KDM4ETP53
SCHEMBL6745548 0.69 HDAC6 (0.36) HDAC6ALDH1A1KDM4EHTTL3MBTL1

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 1953/4885PSMD14 1440/4885MAPK1 1345/4885

“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.