SCHEMBL7683100

SCHEMBL7683100

O=C1CCCc2c(Br)[nH]c(-c3ccccc3)c21

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.60
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
BUB1 O43683 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD11B1 P28845 1/20 0.41

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
SCHEMBL7685336 0.88 BRD4 (0.68) BRD4KMT2AHSD17B10MEN1HSD11B1
SCHEMBL7692229 0.79 BRD4 (0.65) BRD4BUB1
SCHEMBL7689418 0.79 BRD4 (0.65) BRD4BUB1
SCHEMBL15328755 0.75 BRD4 (1.00) BRD4
SCHEMBL24263871 0.72 BRD4 (0.94) BRD4
SCHEMBL6992970 0.69 BRD4 (0.56) BRD4HSD17B10KDM4EHSD11B1
SCHEMBL15328691 0.69 BRD4 (0.53) BRD4
SCHEMBL7680896 0.68 BRD4 (0.65) BRD4KMT2AL3MBTL1HSD17B10MEN1
SCHEMBL7684745 0.68 BRD4 (0.51) BRD4KMT2AL3MBTL1HSD17B10MEN1
SCHEMBL22137288 0.66 BRD4 (0.53) BRD4

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-6417202-B1 3-ACETYL-4-METHYL-2,5-DI(4-PYRIDYL)-1H-PYRROLE, FOR EXAMPLE; TREATING CELL ADHESION MOLECULES (CAMS) MEDIATED DISEASES SUCH AS ARTHRITIS, AIDS, SEPTIC SHOCK, CACHEXIA, TRANSPLANT REJECTION PFIZER INC. 2002-07-09 US disclosed
US-20020049235-A1 3-acetyl-4-methyl-2,5-di(4-pyridyl)-1H-pyrrole, for example; treating cell adhesion molecules (CAMs) mediated diseases such as arthritis, AIDS, septic shock, cachexia, transplant rejection PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 US disclosed
EP-0912548-A1 PYRIDYLPYRROLE COMPOUNDS USEFUL AS INTERLEUKIN- AND TNF ANTAGONISTS PFIZER INC. (US) 1999-05-06 EP disclosed
WO-1998002430-A1 PYRIDYLPYRROLE COMPOUNDS USEFUL AS INTERLEUKIN- AND TNF ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1998-01-22 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-20020049235-A1 3-acetyl-4-methyl-2,5-di(4-pyridyl)-1H-pyrrole, for example; treating cell adhesion molecules (CAMs) mediated diseases such as arthritis, AIDS, septic shock, cachexia, transplant rejection ICAM1, VCAM1, CD14 BRD4 2455/4885KMT2A 2962/4885L3MBTL1 788/4885

“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.