SCHEMBL3280485

SCHEMBL3280485

CCOC(=O)c1c(Cc2cccc3ccccc23)c2ccccc2n1CCOC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.48
GAA P10253 3/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CDC25B P30305 1/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.41
HCRTR1 O43613 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3275255 0.87 MCL1 (0.47) PTGER4GAAKMT2AMEN1KDM4E
SCHEMBL3276558 0.85 HTT (0.50) GAATSHRHSD17B10KMT2AMEN1
SCHEMBL3283139 0.83 KMT2A (0.43) GAAKMT2AMEN1CDC25BKDM4E
SCHEMBL2202307 0.81 MARK3 (0.58) GAAKMT2AMEN1KDM4ELMNA
SCHEMBL21647443 0.80 PTGER4 (0.54) PTGER4GAATSHRHSD17B10KMT2A
SCHEMBL4793548 0.78 CDC25B (0.44) KMT2AMEN1CDC25BKDM4ELMNA
SCHEMBL2204434 0.76 MCL1 (0.58) KDM4ELMNAALDH1A1MCL1
SCHEMBL21647533 0.76 PTGER4 (0.51) PTGER4GAATSHRHSD17B10KDM4E
SCHEMBL2205700 0.75 MARK3 (0.54) KDM4ELMNAALDH1A1HTTMCL1
SCHEMBL2203820 0.73 MCL1 (0.52) PTGER4KMT2AMEN1MCL1

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
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
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
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 PTGER4 608/4885GAA 119/4885TSHR 1199/4885

“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.