SCHEMBL6477047

SCHEMBL6477047

Cc1c(-c2ccc(F)cc2)c(Br)n2c1CCC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.43
KMT2A Q03164 1/20 0.43
THRB P10828 4/20 0.41
TGFBR1 P36897 4/20 0.41
PTGS1 P23219 2/20 0.41
KDM4E B2RXH2 3/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7009927 0.76 KMT2A (0.47) KMT2A
SCHEMBL6291337 0.76 KMT2A (0.47) KMT2A
SCHEMBL6476070 0.75 PTGS2 (0.58) PTGS2KMT2ATHRBTGFBR1PTGS1
SCHEMBL6486568 0.73 KMT2A (0.44) PTGS2KMT2ATHRBTGFBR1PTGS1
SCHEMBL6487001 0.73 PTGS2 (0.60) PTGS2KMT2ATHRBPTGS1
SCHEMBL6291378 0.72 RIPK3 (0.44) KMT2A
SCHEMBL6476126 0.72 ALOX5 (0.47) PTGS2KMT2ATHRBTGFBR1PTGS1
SCHEMBL6294031 0.69 KMT2A (0.42) KMT2A
SCHEMBL6487417 0.67 PTGS2 (0.62) PTGS2THRBPTGS1
SCHEMBL6482214 0.66 PTGS2 (0.51) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936632-B2 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2005-08-30 US disclosed
US-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2004-06-24 US disclosed
EP-1246825-B1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2003-12-17 EP 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-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof PTGS1, PTGS2, PTGER1 PTGS2 2/4885KMT2A 3737/4885THRB 3811/4885

“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.