SCHEMBL3276293

SCHEMBL3276293

O=C(O)Cn1c(C(=O)O)c(Cc2cccc3ccccc23)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
THRB P10828 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.50
CMA1 P23946 2/20 0.48
GLA P06280 1/20 0.48
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FOLH1 Q04609 4/20 0.46
FDPS P14324 1/20 0.46

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
SCHEMBL3276150 0.87 MCL1 (0.43) POLBTHRBL3MBTL1HPGDCMA1
SCHEMBL3275255 0.82 MCL1 (0.47) KDM4ECMA1MCL1TDP1FOLH1
SCHEMBL3276099 0.80 FOLH1 (0.63) POLBKDM4ECMA1MCL1TDP1
SCHEMBL3276960 0.78 FOLH1 (0.59) KDM4ECMA1MCL1TDP1FOLH1
SCHEMBL3279881 0.76 MCL1 (0.59) KDM4ECMA1MCL1FOLH1
SCHEMBL3276558 0.76 HTT (0.50) POLBL3MBTL1KDM4EHPGDTDP1
SCHEMBL25015998 0.74 F10 (0.44) POLBKDM4EHPGD
SCHEMBL3283139 0.74 KMT2A (0.43) KDM4EHPGD
SCHEMBL2314506 0.72 CMA1 (0.76) L3MBTL1KDM4EHPGDCMA1GLA
SCHEMBL3277702 0.72 CCR2 (0.56) POLBKDM4EHPGDCMA1MCL1

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 10 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
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 1631/4885THRB 3308/4885L3MBTL1 4757/4885

“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.