SCHEMBL3276789

SCHEMBL3276789

CCOC(=O)c1cc2cc(F)ccc2n1Cc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 3/20 0.54
NOD1 Q9Y239 3/20 0.54
F10 P00742 4/20 0.52
MAPT P10636 6/20 0.48
KDM4E B2RXH2 4/20 0.48
KMT2A Q03164 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
MEN1 O00255 3/20 0.48
TSHR P16473 2/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.43

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
SCHEMBL3276552 0.89 NOD2 (0.59) NOD2NOD1F10MAPTKDM4E
SCHEMBL3283484 0.89 NOD2 (0.53) NOD2NOD1F10MAPTKDM4E
SCHEMBL3276167 0.87 NOD2 (0.49) NOD2NOD1F10MAPTKDM4E
SCHEMBL3283197 0.84 CCR2 (0.56) F10KDM4EHSD17B10ALDH1A1
SCHEMBL3620888 0.84 NOD2 (0.50) NOD2NOD1F10MAPTKDM4E
SCHEMBL832448 0.82 F10 (0.61) NOD2NOD1F10MAPTKDM4E
SCHEMBL3622091 0.82 NOD2 (0.47) NOD2NOD1F10MAPTKDM4E
SCHEMBL21822412 0.81 NOD2 (0.54) NOD2NOD1F10MAPTKDM4E
SCHEMBL7751603 0.80 NOD2 (0.50) NOD2NOD1F10MAPTKDM4E
SCHEMBL3276359 0.80 KMT2A (0.50) MAPTKDM4EKMT2AMEN1ALDH1A1

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 NOD2 2273/4885NOD1 2866/4885F10 881/4885

“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.