SCHEMBL3279487

SCHEMBL3279487

CCC(=O)NCc1c(C(=O)O)n(Cc2cccc3ccccc23)c2ccc(F)cc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
TP53 P04637 5/20 0.43
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HASPIN Q8TF76 1/20 0.41
CYP2C9 P11712 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.39
PTGER2 P43116 1/20 0.39

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
SCHEMBL3283461 0.90 POLB (0.50) POLBTP53KMT2AMAPTMEN1
SCHEMBL3281185 0.89 KMT2A (0.46) POLBTP53KMT2AMAPTMEN1
SCHEMBL3274918 0.89 POLB (0.48) POLBTP53KMT2AMAPTMEN1
SCHEMBL3279412 0.89 POLB (0.48) POLBTP53KMT2AMAPTMEN1
SCHEMBL15512653 0.89 POLB (0.55) POLBTP53KMT2AMAPTMEN1
SCHEMBL3274967 0.88 POLB (0.52) POLBTP53KMT2AMAPTMEN1
SCHEMBL3275970 0.88 POLB (0.46) POLBTP53KMT2AMAPTMEN1
SCHEMBL3275147 0.88 POLB (0.48) POLBTP53KMT2AMAPTMEN1
SCHEMBL3283138 0.87 POLB (0.48) POLBTP53KMT2AMAPTMEN1
SCHEMBL15513309 0.87 POLB (0.45) POLBTP53KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 POLB 1631/4885TP53 1734/4885KMT2A 3786/4885

“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.