SCHEMBL18382989

SCHEMBL18382989

CNc1ccc(-c2cn(C)c(=O)c3c2cnn3S(=O)(=O)c2ccc(C)cc2)c(OCC2CCCCC2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 17/20 0.39
▸ CYP19A1 P11511 1/20 0.34
▸ CD4 P01730 2/20 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
SCHEMBL16738983 0.89 BRD4 (0.42) BRD4CYP19A1
SCHEMBL18387202 0.86 BRD4 (0.35) BRD4CYP19A1
SCHEMBL16739011 0.77 BRD4 (0.43) BRD4
SCHEMBL16739052 0.74 BRD4 (0.43) BRD4
SCHEMBL16738925 0.73 BRD4 (0.47) BRD4
SCHEMBL16739060 0.73 BRD4 (0.48) BRD4CYP19A1
SCHEMBL16738927 0.69 BRD4 (0.47) BRD4
SCHEMBL16758591 0.69 BRD4 (0.46) BRD4
SCHEMBL16739024 0.68 BRD4 (0.46) BRD4
SCHEMBL18387210 0.68 BRD4 (0.35) BRD4

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-20170014418-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2017-01-19 — — US disclosed
US-20170014418-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2017-01-19 — — 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-20170014418-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 BRD4 4/4885CYP19A1 3799/4885CD4 3958/4885

“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.

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