SCHEMBL6745834

SCHEMBL6745834

COCN1c2cc(C(N)=O)ccc2Sc2nccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.43
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MAPK1 P28482 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL8315505 0.91 HDAC6 (0.45) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL6747555 0.90 HDAC6 (0.44) HDAC6THRBKMT2APOLBMEN1
SCHEMBL6751846 0.89 HDAC6 (0.39) HDAC6THRBPOLBLMNACYP1A2
SCHEMBL6747320 0.87 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL6745465 0.83 HDAC6 (0.41) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL6752012 0.83 HDAC6 (0.37) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL6746505 0.82 HDAC6 (0.35) HDAC6THRBKMT2AMEN1LMNA
SCHEMBL8319481 0.82 HDAC6 (0.42) HDAC6POLBMKNK2
SCHEMBL6746495 0.81 HDAC6 (0.43) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL6745548 0.80 HDAC6 (0.36) HDAC6THRBKMT2ASMN1; SMN2MEN1

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 1953/4885HDAC3 3550/4885HDAC1 1667/4885

“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.