SCHEMBL6475565

SCHEMBL6475565

O=C(OCc1ccccc1)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CCC2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.57
ALOX5 P09917 11/20 0.49
PTGS1 P23219 2/20 0.47
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
GPBAR1 Q8TDU6 2/20 0.41

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
SCHEMBL6485138 0.88 PTGES (0.58) PTGESALOX5PTGS1ALDH1A1CYP1A2
SCHEMBL6483250 0.88 PTGES (0.58) PTGESALOX5PTGS1ALDH1A1CYP1A2
SCHEMBL6486937 0.84 PTGES (0.58) PTGESALOX5PTGS1ALDH1A1THRB
SCHEMBL6484148 0.84 PTGES (0.58) PTGESALOX5PTGS1ALDH1A1THRB
SCHEMBL7003832 0.83 PTGES (0.55) PTGESALOX5PTGS1TP53THRB
SCHEMBL6476339 0.82 PTGES (0.65) PTGESALOX5PTGS1ALDH1A1CYP1A2
SCHEMBL6478277 0.75 CHRNA7 (0.55) PTGESPTGS1ALDH1A1MEN1KMT2A
SCHEMBL6487769 0.75 CHRNA7 (0.55) PTGESPTGS1ALDH1A1MEN1KMT2A
SCHEMBL7002805 0.75 PTGES (0.78) PTGESALOX5PTGS1
SCHEMBL6475572 0.75 PTGES (0.78) PTGESALOX5PTGS1

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 PTGES 6/4885ALOX5 62/4885PTGS1 1/4885

“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.