SCHEMBL7684745

SCHEMBL7684745

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.51
BUB1 O43683 3/20 0.42
CYP2A6 P11509 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PLA2G10 O15496 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPK10 P53779 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL7680896 0.73 BRD4 (0.65) BRD4CYP2A6MAOAMAOBKMT2A
SCHEMBL15329160 0.69 TSHR (0.47) BRD4CYP2A6MAOAMAOB
SCHEMBL7689418 0.69 BRD4 (0.65) BRD4BUB1ALDH1A1MAPK10
SCHEMBL7692229 0.69 BRD4 (0.65) BRD4BUB1ALDH1A1MAPK10
SCHEMBL7685336 0.68 BRD4 (0.68) BRD4KMT2AHSD17B10MEN1
SCHEMBL15328755 0.68 BRD4 (1.00) BRD4
SCHEMBL7683100 0.68 BRD4 (0.60) BRD4BUB1KMT2AL3MBTL1HSD17B10
SCHEMBL19899072 0.66 MAOA (0.48) BRD4CYP2A6MAOAMAOBALDH1A1
SCHEMBL24263871 0.65 BRD4 (0.94) BRD4
Biphenyl SCHEMBL27725627 0.65 ALDH1A1 (0.50) BRD4CYP2A6MAOAMAOBKMT2A

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 2455/4885BUB1 1831/4885CYP2A6 3652/4885

“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.