SCHEMBL3276262

SCHEMBL3276262

CCN(C)C(=O)Cc1c(C(=O)O)n(Cc2cccc3ccccc23)c2ccc(F)cc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PTGDR2 Q9Y5Y4 6/20 0.43
CYP2C9 P11712 1/20 0.42
POLB P06746 1/20 0.41
FOLH1 Q04609 2/20 0.40
MCL1 Q07820 1/20 0.39
PTGER2 P43116 1/20 0.39
TP53 P04637 2/20 0.38
PTGIR P43119 1/20 0.37
PTGDR Q13258 1/20 0.37

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
SCHEMBL3276121 0.92 KMT2A (0.44) KMT2AMEN1SMN1; SMN2PTGDR2CYP2C9
SCHEMBL3276461 0.92 PTGDR2 (0.45) KMT2AMEN1SMN1; SMN2PTGDR2CYP2C9
SCHEMBL3277102 0.91 KMT2A (0.44) KMT2AMEN1SMN1; SMN2PTGDR2CYP2C9
SCHEMBL3283156 0.88 PTGDR2 (0.42) KMT2AMEN1SMN1; SMN2PTGDR2CYP2C9
SCHEMBL3277586 0.87 PTGDR2 (0.46) KMT2AMEN1SMN1; SMN2PTGDR2CYP2C9
SCHEMBL3275766 0.86 PTGDR2 (0.53) KMT2AMEN1PTGDR2CYP2C9POLB
SCHEMBL3279636 0.86 KMT2A (0.43) KMT2AMEN1PTGDR2CYP2C9POLB
SCHEMBL3276275 0.85 KMT2A (0.45) KMT2AMEN1PTGDR2CYP2C9POLB
SCHEMBL3280944 0.85 KMT2A (0.47) KMT2AMEN1SMN1; SMN2PTGDR2POLB
SCHEMBL3276388 0.85 PTGDR2 (0.41) KMT2AMEN1SMN1; SMN2PTGDR2CYP2C9

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
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US claimed
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
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

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 KMT2A 3786/4885MEN1 2461/4885SMN1; SMN2 3687/4885

“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.