SCHEMBL7690976

SCHEMBL7690976

CC(=O)c1c(C)cn(COCC[Si](C)(C)C)c1C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.36
KLKB1 P03952 1/20 0.35
NPC1 O15118 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL14255851 0.74 DGAT1 (0.36) DGAT1KLKB1NPC1
SCHEMBL16008683 0.73 ALDH1A1 (0.36) DGAT1NPC1
SCHEMBL23123688 0.73 CYP3A4 (0.37) DGAT1NPC1
SCHEMBL16007886 0.71 KLKB1 (0.33) DGAT1KLKB1
SCHEMBL16007885 0.71 KLKB1 (0.33) DGAT1KLKB1
SCHEMBL25344264 0.71 TYMP (0.48)
SCHEMBL7691117 0.70 NPC1 (0.34) DGAT1NPC1
SCHEMBL16008386 0.70 ALDH1A1 (0.36) DGAT1KLKB1
SCHEMBL16007900 0.70 MAPT (0.39) DGAT1KLKB1NPC1
SCHEMBL16007368 0.70 DGAT1 (0.34) DGAT1KLKB1

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 DGAT1 3194/4885KLKB1 2504/4885NPC1 4778/4885

“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.