SCHEMBL6475809

SCHEMBL6475809

COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccccc2)c2n1CCC2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
ALOX5 P09917 12/20 0.48
HTR3A P46098 1/20 0.45
PTGES O14684 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGS1 P23219 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6486937 0.88 PTGES (0.58) KMT2AMEN1ALOX5PTGESALDH1A1
SCHEMBL6484148 0.88 PTGES (0.58) KMT2AMEN1ALOX5PTGESALDH1A1
SCHEMBL6476997 0.86 PTGS2 (0.57) KMT2AALOX5HTR3AALDH1A1LMNA
SCHEMBL6475909 0.85 PTGS2 (0.46) KMT2AMEN1ALOX5HTR3AALDH1A1
SCHEMBL6475197 0.81 KMT2A (0.70) KMT2AMEN1ALOX5ALDH1A1LMNA
SCHEMBL7005247 0.81 ALOX5 (0.46) KMT2AMEN1ALOX5PTGESPTGS1
SCHEMBL6476126 0.77 ALOX5 (0.47) KMT2AALOX5PTGESPTGS1
SCHEMBL6483250 0.76 PTGES (0.58) ALOX5PTGESALDH1A1PTGS1HPGD
SCHEMBL6485138 0.76 PTGES (0.58) ALOX5PTGESALDH1A1PTGS1HPGD
SCHEMBL6487112 0.76 PTGES (0.61) KMT2AALOX5PTGESPTGS1

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 2 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

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 KMT2A 3737/4885MEN1 4000/4885ALOX5 62/4885

“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.