SCHEMBL20288792

SCHEMBL20288792

CC(=O)Nc1cccc(-c2ccc3c(c2)[C@H](NCCCc2ccccc2)C[C@H](C)N3C(C)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.61
▸ BRD2 P25440 18/20 0.61
▸ BRD3 Q15059 17/20 0.60
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC7 Q8WUI4 2/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ HDAC9 Q9UKV0 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ TRIM24 O15164 1/20 0.46
▸ TAF1 P21675 1/20 0.46
▸ EP300 Q09472 1/20 0.46
▸ BRDT Q58F21 1/20 0.46
▸ PBRM1 Q86U86 1/20 0.46
▸ TAF1L Q8IZX4 1/20 0.46
▸ CREBBP Q92793 1/20 0.46
▸ BRWD1 Q9NSI6 1/20 0.46
▸ TRIM33 Q9UPN9 1/20 0.46

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
SCHEMBL23467460 0.90 BRD4 (0.61) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL20288801 0.89 BRD4 (0.64) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL20288478 0.86 BRD4 (0.64) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL20288804 0.85 BRD4 (0.63) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL20288764 0.84 BRD2 (0.69) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL20270666 0.82 BRD4 (0.69) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL20270151 0.82 BRD4 (0.69) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL26487519 0.82 BRD4 (0.72) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL20288790 0.82 BRD4 (0.61) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL26487259 0.81 BRD4 (0.73) BRD4BRD2BRD3CYP3A4CYP2C9

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 BRD4 2/4885BRD2 4/4885BRD3 3/4885
US-20210188777-A1 TETRAHYDROQUINOLINE-BASED BROMODOMAIN INHIBITORS BRDT, BRD4, BRD3 BRD4 2/4885BRD2 4/4885BRD3 3/4885
US-11787768-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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