SCHEMBL23467443

SCHEMBL23467443

CC(=O)Nc1cccc(-c2ccc3c(c2)[C@H](NC2CCCC2)C[C@H](C)N3C(C)O)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 16/20 0.50
▸ BRD2 P25440 16/20 0.50
▸ BRD3 Q15059 15/20 0.44
▸ GRIA2 P42262 2/20 0.41
▸ KCNH2 Q12809 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL20270176 0.86 BRD4 (0.66) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL20288807 0.86 BRD4 (0.66) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL23467420 0.85 BRD4 (0.54) BRD4BRD2BRD3GRIA2KCNH2
SCHEMBL20270105 0.85 BRD4 (0.65) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL20288809 0.85 BRD4 (0.65) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL23467447 0.83 BRD4 (0.65) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL23467444 0.82 BRD4 (0.64) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL23467402 0.81 BRD4 (0.59) BRD4BRD2BRD3
SCHEMBL23467469 0.80 BRD4 (0.61) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL23569933 0.80 BRD4 (0.57) BRD4BRD2BRD3CYP3A4CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028051-B2 Tetrahydroquinoline-based bromodomain inhibitors ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2021-06-08 — — 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-11028051-B2 Tetrahydroquinoline-based bromodomain inhibitors BRDT, BRD4, BRD3 BRD4 2/4885BRD2 4/4885BRD3 3/4885

“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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