SCHEMBL6132280

SCHEMBL6132280

COCCCCCCc1ccc(-c2nnc(-c3ccc(C(=O)On4nnc5ccccc54)cc3)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.54
HDAC2 Q92769 5/20 0.54
HDAC6 Q9UBN7 5/20 0.54
HDAC3 O15379 4/20 0.54
HDAC4 P56524 4/20 0.54
HDAC7 Q8WUI4 4/20 0.54
HDAC10 Q969S8 4/20 0.54
HDAC11 Q96DB2 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
HDAC9 Q9UKV0 4/20 0.54
HDAC5 Q9UQL6 4/20 0.54
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SIRT2 Q8IXJ6 4/20 0.44
CSNK2A2 P19784 2/20 0.40
CSNK2A1 P68400 2/20 0.40
PLA2G4A P47712 1/20 0.40
PTPRC P08575 1/20 0.37
PTPN2 P17706 1/20 0.37

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
SCHEMBL6132961 0.91 HDAC1 (0.60) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7311132 0.91 HDAC1 (0.60) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7322834 0.91 HDAC1 (0.60) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL6539220 0.91 HDAC3 (0.53) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL6539193 0.90 HDAC3 (0.54) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL6134459 0.84 HDAC1 (0.61) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL6133706 0.84 HDAC3 (0.47) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7315155 0.84 HDAC1 (0.57) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL6538924 0.83 HDAC1 (0.57) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7326470 0.83 HDAC1 (0.58) HDAC1HDAC2HDAC6HDAC3HDAC4

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 HDAC1 801/4885HDAC2 2057/4885HDAC6 1022/4885

“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.