SCHEMBL4386654

SCHEMBL4386654

Nc1ncnc2cc(CN3CCN(Cc4ccc5cc(Cl)ccc5c4)C(Cc4ccccc4)C3=O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.53
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DGAT1 O75907 1/20 0.35
CLPP Q16740 1/20 0.35

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
SCHEMBL4386656 1.00 F10 (0.53) F10HDAC1HDAC8HDAC6KDM4E
SCHEMBL4393548 0.89 F10 (0.57) F10HDAC1HDAC8HDAC6DGAT1
SCHEMBL4393545 0.89 F10 (0.57) F10HDAC1HDAC8HDAC6DGAT1
SCHEMBL4388019 0.89 F10 (0.55) F10DGAT1
SCHEMBL1652827 0.89 F10 (0.55) F10DGAT1
SCHEMBL4395763 0.86 F10 (0.53) F10HTTDGAT1
SCHEMBL1651494 0.86 F10 (0.53) F10HTTDGAT1
SCHEMBL4388120 0.85 F10 (0.57) F10DGAT1
SCHEMBL4388123 0.85 F10 (0.57) F10DGAT1
SCHEMBL4391694 0.81 F10 (0.56) F10HDAC1HDAC8HDAC6

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-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US claimed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 F10 12/4885HDAC1 1836/4885HDAC8 1694/4885

“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.