SCHEMBL6132222

SCHEMBL6132222

COc1ccc([C@H]2CC[C@@H](N3CCN(c4ccc(-c5ccc(C(=O)On6nnc7ccccc76)cc5)cc4)CC3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.60
HDAC4 P56524 4/20 0.60
HDAC1 Q13547 4/20 0.60
HDAC7 Q8WUI4 4/20 0.60
HDAC2 Q92769 4/20 0.60
HDAC10 Q969S8 4/20 0.60
HDAC11 Q96DB2 4/20 0.60
HDAC8 Q9BY41 4/20 0.60
HDAC6 Q9UBN7 4/20 0.60
HDAC9 Q9UKV0 4/20 0.60
HDAC5 Q9UQL6 4/20 0.60
FAAH O00519 1/20 0.48
MGLL Q99685 1/20 0.48
KDM4E B2RXH2 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
GFER P55789 1/20 0.45
ALDH1A1 P00352 4/20 0.43
ORAI1 Q96D31 1/20 0.43
MGAM O43451 1/20 0.41
F12 P00748 1/20 0.41

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
SCHEMBL6132199 1.00 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6132201 1.00 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6132322 0.88 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6134448 0.86 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6134447 0.86 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6134555 0.86 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6132210 0.85 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6132185 0.85 MEN1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6132184 0.85 MEN1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6132676 0.84 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 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-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 HDAC3 1534/4885HDAC4 2022/4885HDAC1 801/4885

“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.