SCHEMBL14757386

SCHEMBL14757386

COc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCNC(=O)c1ccc(B(O)O)cc1)c1nnc(C)n1-2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 19/20 0.73
▸ HDAC1 Q13547 2/20 0.73
▸ HDAC2 Q92769 2/20 0.73
▸ BRD2 P25440 2/20 0.73
▸ SMCHD1 A6NHR9 1/20 0.73
▸ MYO1G B0I1T2 1/20 0.73
▸ AIP O00170 1/20 0.73
▸ AP3B1 O00203 1/20 0.73
▸ PSMD11 O00231 1/20 0.73
▸ CDC7 O00311 1/20 0.73
▸ SAP18 O00422 1/20 0.73
▸ KPNA3 O00505 1/20 0.73
▸ PPP6C O00743 1/20 0.73
▸ TCERG1 O14776 1/20 0.73
▸ UBE2L6 O14933 1/20 0.73
▸ PPP1R12A O14974 1/20 0.73
▸ U2SURP O15042 1/20 0.73
▸ SETD1A O15047 1/20 0.73
▸ ARPC1B O15143 1/20 0.73
▸ POLR1C O15160 1/20 0.73

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
SCHEMBL14757034 0.97 BRD4 (0.71) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL14757125 0.97 BRD4 (0.71) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL14757156 0.97 BRD4 (0.70) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL15981833 0.95 BRD4 (0.69) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL14756866 0.92 BRD4 (0.70) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL15968213 0.92 BRD4 (0.73) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL15981852 0.91 BRD4 (0.78) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL15968164 0.91 BRD4 (0.74) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL15981832 0.91 BRD4 (0.74) BRD4HDAC1HDAC2BRD2SMCHD1
SCHEMBL15968653 0.91 BRD4 (0.74) BRD4HDAC1HDAC2BRD2SMCHD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 — — US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 — — US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 — — US disclosed
WO-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 — — 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 (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-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 BRD4 2/4885HDAC1 194/4885HDAC2 979/4885

“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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