SCHEMBL3280545

SCHEMBL3280545

O=C(O)c1cc2sccc2n1Cc1cccc2ccc(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
TP53 P04637 6/20 0.51
POLB P06746 2/20 0.49
ABCB11 O95342 1/20 0.49
CCR9 P51686 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 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
SCHEMBL3276122 0.88 MAPT (0.68) MAPTTP53POLBRXFP1ALDH1A1
SCHEMBL3276177 0.88 POLB (0.54) MAPTPOLBABCB11CCR9RXFP1
SCHEMBL3277148 0.83 L3MBTL1 (0.52) MAPTALDH1A1HPGDTSHRHSD17B10
SCHEMBL3276117 0.83 CCR2 (0.58) POLBALDH1A1MEN1KMT2A
SCHEMBL3276476 0.78 CCR2 (0.65) CCR9
SCHEMBL3275459 0.78 CCR2 (0.48) CCR9ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3277021 0.77 CCR2 (0.57) RXFP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3283197 0.76 CCR2 (0.56) ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3276993 0.75 MAPT (0.68) MAPTTP53POLBALDH1A1MEN1
SCHEMBL14975727 0.73 MAPT (0.74) MAPTTP53POLBABCB11CCR9

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 13 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
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
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
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
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 MAPT 4097/4885TP53 1734/4885POLB 1631/4885

“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.