SCHEMBL6745847

SCHEMBL6745847

COCN1c2cc(CN(C(C)=O)c3cccnc3)ccc2Sc2nccnc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 4/20 0.35
CYP3A4 P08684 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TSPO P30536 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6750118 0.89 HDAC6 (0.37) HDAC6TRPM8ACHELMNAHDAC1
SCHEMBL6749177 0.79 RAB9A (0.43) HDAC6CYP3A4ACHELMNAHDAC1
SCHEMBL6747454 0.77 HDAC6 (0.43) HDAC6L3MBTL1CYP3A4LMNAMAPT
SCHEMBL6745730 0.76 HDAC6 (0.43) HDAC6MAPTKDM4EALDH1A1
SCHEMBL6747463 0.76 HDAC6 (0.44) HDAC6L3MBTL1CYP3A4LMNAMAPT
SCHEMBL6749064 0.76 HDAC6 (0.41) HDAC6HDAC1
SCHEMBL6745468 0.76 HDAC6 (0.43) HDAC6ACHEMAPTHDAC1KDM4E
SCHEMBL6747276 0.76 HDAC6 (0.42) HDAC6LMNAMAPTHDAC1
SCHEMBL8315505 0.75 HDAC6 (0.45) HDAC6L3MBTL1TP53CYP3A4LMNA
SCHEMBL6750340 0.75 ICAM1 (0.52)

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 4 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
US-5885987-A ANTIHISTAMINE AGENT FOR TREATING ASTHMA, ANTILEUKOTRIENE AGENT, ANTIALLERGENS KOWA CO., LTD. (JP) 1999-03-23 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 1953/4885L3MBTL1 4411/4885TP53 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.