SCHEMBL3276993

SCHEMBL3276993

COC(=O)c1cc2sccc2n1Cc1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
THRB P10828 4/20 0.68
TSHR P16473 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
TP53 P04637 3/20 0.60
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.54
ATM Q13315 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 3/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
USP2 O75604 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL3276122 0.89 MAPT (0.68) MAPTTHRBTSHRL3MBTL1TP53
SCHEMBL3276177 0.86 POLB (0.54) MAPTTHRBTSHRALDH1A1LMNA
SCHEMBL3277418 0.83 L3MBTL1 (0.74) MAPTTHRBTSHRL3MBTL1TP53
SCHEMBL3276766 0.78 MAPT (0.64) MAPTTHRBTSHRTP53ALDH1A1
SCHEMBL23674599 0.75 MAPT (0.82) MAPTTHRBTSHRL3MBTL1TP53
SCHEMBL21822244 0.75 F10 (0.54)
SCHEMBL28916214 0.75 NQO2 (0.48) MAPTTHRBL3MBTL1TP53LMNA
SCHEMBL3280545 0.75 MAPT (0.51) MAPTTHRBTSHRTP53ALDH1A1
SCHEMBL18338215 0.74 POLB (0.76) MAPTTHRBTSHRL3MBTL1TP53
SCHEMBL25016037 0.73 F10 (0.43) MAPTL3MBTL1TP53LMNAMEN1

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 7 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
CN-101351446-B Novel fused pyrrole derivatives HOFFMANN LA ROCHE 2011-10-05 CN disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
CN-101351446-A Novel fused pyrrole derivatives HOFFMANN LA ROCHE (CH) 2009-01-21 CN 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 MAPT 4097/4885THRB 3308/4885TSHR 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.