SCHEMBL7538265

SCHEMBL7538265

Nc1ncnc2cc(CN3CCC(N)C3=O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.52
DGAT1 O75907 1/20 0.41
HSP90AB1 P08238 3/20 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
SCHEMBL7367709 1.00 F10 (0.52) F10DGAT1HSP90AB1
SCHEMBL6221509 1.00 F10 (0.52) F10DGAT1HSP90AB1
Hydrochloric Acid SCHEMBL6222343 0.99 F10 (0.51) F10DGAT1HSP90AB1
Hydrochloric Acid SCHEMBL6222339 0.99 F10 (0.51) F10DGAT1HSP90AB1
Trifluoroacetic Acid SCHEMBL7409149 0.91 F10 (0.45) F10DGAT1HSP90AB1
Trifluoroacetic Acid SCHEMBL7545753 0.91 F10 (0.45) F10DGAT1HSP90AB1
Trifluoroacetic Acid SCHEMBL6220788 0.91 F10 (0.45) F10DGAT1HSP90AB1
Trifluoroacetic Acid SCHEMBL7921756 0.85 F10 (0.43) F10DGAT1HSP90AB1
SCHEMBL6221508 0.84 F10 (0.49) F10DGAT1
SCHEMBL7921783 0.83 F10 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-01-31 US disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 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-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds STS, ARSA, F12 F10 20/4885DGAT1 3918/4885HSP90AB1 3070/4885

“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.