SCHEMBL6476126

SCHEMBL6476126

Cc1c(-c2ccc(F)cc2)c(-c2ccccc2)c2n1CCC2

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.47
KMT2A Q03164 1/20 0.45
THRB P10828 2/20 0.43
PTGES O14684 1/20 0.43
TGFBR1 P36897 1/20 0.43
PTGS2 P35354 3/20 0.42
PTGS1 P23219 3/20 0.42

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
SCHEMBL6476356 0.85 PTGES (0.58) ALOX5PTGESPTGS2PTGS1
SCHEMBL6485915 0.85 PTGES (0.58) ALOX5PTGESPTGS2PTGS1
SCHEMBL6487417 0.82 PTGS2 (0.62) ALOX5THRBPTGS2PTGS1
SCHEMBL6486123 0.82 PTGES (0.49) ALOX5KMT2ATHRBPTGESTGFBR1
SCHEMBL6482214 0.81 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6475809 0.77 KMT2A (0.53) ALOX5KMT2APTGESPTGS1
SCHEMBL6487112 0.76 PTGES (0.61) ALOX5KMT2APTGESPTGS2PTGS1
SCHEMBL7005247 0.75 ALOX5 (0.46) ALOX5KMT2APTGESPTGS2PTGS1
SCHEMBL6476414 0.74 ALOX5 (0.41) ALOX5KMT2APTGESPTGS2PTGS1
SCHEMBL16800122 0.74 ALOX5 (0.41) ALOX5PTGESPTGS2PTGS1

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 5 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
EP-1246825-A1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2002-10-09 EP disclosed
WO-2001051491-A1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2001-07-19 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-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof PTGS1, PTGS2, PTGER1 ALOX5 62/4885KMT2A 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.