SCHEMBL4393545

SCHEMBL4393545

Nc1ncnc2cc(CN3CCN(Cc4cc5ccc(Cl)cc5s4)C(Cc4ccccc4)C3=O)ccc12

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.57
DGAT1 O75907 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL4393548 1.00 F10 (0.57) F10DGAT1HDAC1HDAC8HDAC6
SCHEMBL4393358 0.90 F10 (0.59) F10DGAT1
SCHEMBL1651520 0.90 F10 (0.59) F10DGAT1
SCHEMBL4386654 0.89 F10 (0.53) F10DGAT1HDAC1HDAC8HDAC6
SCHEMBL4386656 0.89 F10 (0.53) F10DGAT1HDAC1HDAC8HDAC6
SCHEMBL1651315 0.88 F10 (0.57) F10DGAT1
SCHEMBL4397342 0.88 F10 (0.57) F10DGAT1
SCHEMBL4388720 0.87 F10 (0.61) F10
SCHEMBL4397262 0.87 F10 (0.61) F10
SCHEMBL4388718 0.87 F10 (0.61) F10

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 12/4885DGAT1 1967/4885HDAC1 1836/4885

“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.