SCHEMBL19726802

SCHEMBL19726802

Cc1noc(C)c1-c1cnc(OC(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.49
BRD4 O60885 19/20 0.46
BRD2 P25440 1/20 0.37
CREBBP Q92793 1/20 0.37

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
SCHEMBL19726801 0.79 BRD4 (0.45) BRD4BRD2CREBBP
SCHEMBL20577934 0.79 ERN1 (0.54) ERN1BRD4BRD2CREBBP
SCHEMBL19726804 0.77 ERN1 (0.52) ERN1BRD4
SCHEMBL20689265 0.76 SMN1; SMN2 (0.49)
SCHEMBL19231554 0.74 ERN1 (0.49) ERN1BRD4
SCHEMBL19231446 0.74 BRD4 (0.55) ERN1BRD4BRD2CREBBP
SCHEMBL19231421 0.73 ERN1 (0.48) ERN1BRD4BRD2CREBBP
SCHEMBL19231555 0.73 ERN1 (0.47) ERN1BRD4CREBBP
SCHEMBL1664331 0.72 ERN1 (0.59) ERN1BRD4BRD2CREBBP
SCHEMBL17813564 0.72 BRD4 (0.66) ERN1BRD4CREBBP

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-20170360765-A1 SUBSTITUTED PYRIDINES AS BROMODOMAiN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 US disclosed
US-20170360765-A1 SUBSTITUTED PYRIDINES AS BROMODOMAiN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 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-20170360765-A1 SUBSTITUTED PYRIDINES AS BROMODOMAiN INHIBITORS BRD4, BRDT, BRD3 ERN1 1762/4885BRD4 1/4885BRD2 7/4885

“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.