SCHEMBL20288764

SCHEMBL20288764

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

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD2 P25440 19/20 0.69
▸ BRD4 O60885 18/20 0.69
▸ BRD3 Q15059 16/20 0.61
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51

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
SCHEMBL20288794 0.88 BRD2 (0.63) BRD2BRD4BRD3HDAC1HDAC7
SCHEMBL23467420 0.88 BRD4 (0.54) BRD2BRD4BRD3HDAC1HDAC7
SCHEMBL26487519 0.87 BRD4 (0.72) BRD2BRD4BRD3HDAC1HDAC7
SCHEMBL20288801 0.87 BRD4 (0.64) BRD2BRD4BRD3HDAC1HDAC7
SCHEMBL20288798 0.86 BRD2 (0.66) BRD2BRD4BRD3HDAC1HDAC7
SCHEMBL26487137 0.86 BRD2 (0.65) BRD2BRD4BRD3HDAC1HDAC7
SCHEMBL20270666 0.85 BRD4 (0.69) BRD2BRD4BRD3HDAC1HDAC7
SCHEMBL20270832 0.85 BRD4 (0.84) BRD2BRD4BRD3CYP3A4CYP2D6
SCHEMBL20270151 0.85 BRD4 (0.69) BRD2BRD4BRD3HDAC1HDAC7
SCHEMBL20288795 0.85 BRD4 (0.66) BRD2BRD4BRD3HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787768-B2 Tetrahydroquinoline-based bromodomain inhibitors ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2023-10-17 — — US disclosed
US-11787768-B2 Tetrahydroquinoline-based bromodomain inhibitors ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2023-10-17 — — US disclosed
US-20210188777-A1 TETRAHYDROQUINOLINE-BASED BROMODOMAIN INHIBITORS ST JUDE CHILDRENS RES HOSPITAL (US) 2021-06-24 — — US disclosed
US-11028051-B2 Tetrahydroquinoline-based bromodomain inhibitors ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2021-06-08 — — US disclosed
WO-2018111805-A1 TETRAHYDROQUINOLINE-BASED BROMODOMAIN INHIBITORS ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2018-06-21 — — WO 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 (3 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 BRD2 4/4885BRD4 2/4885BRD3 3/4885
US-20210188777-A1 TETRAHYDROQUINOLINE-BASED BROMODOMAIN INHIBITORS BRDT, BRD4, BRD3 BRD2 4/4885BRD4 2/4885BRD3 3/4885
US-11787768-B2 Tetrahydroquinoline-based bromodomain inhibitors BRDT, BRD4, BRD3 BRD2 4/4885BRD4 2/4885BRD3 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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