SCHEMBL4258374

SCHEMBL4258374

O=C1COc2ccc(-c3nc(C(F)(F)F)cs3)cc2N1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ALDH1A1 P00352 7/20 0.58
MAPT P10636 7/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
NR3C2 P08235 12/20 0.56
NR3C1 P04150 2/20 0.53
PGR P06401 2/20 0.53
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 2/20 0.47
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4273018 0.82 MAPT (0.60) POLBALDH1A1MAPTHPGDMAPK1
SCHEMBL4258351 0.81 ALDH1A1 (0.70) POLBALDH1A1MAPTHPGDMAPK1
SCHEMBL4259588 0.81 POLB (0.69) POLBALDH1A1MAPTHPGDMAPK1
SCHEMBL4272682 0.79 MAPT (0.74) POLBALDH1A1MAPTHPGDMAPK1
SCHEMBL4267740 0.78 POLB (0.69) POLBALDH1A1MAPTHPGDMAPK1
SCHEMBL4262059 0.78 POLB (0.75) POLBALDH1A1MAPTHPGDMAPK1
SCHEMBL4267313 0.78 MAPT (0.62) POLBALDH1A1MAPTHPGDMAPK1
SCHEMBL4265392 0.77 POLB (0.67) POLBALDH1A1MAPTHPGDMAPK1
SCHEMBL4270936 0.77 POLB (0.70) POLBALDH1A1MAPTHPGDMAPK1
SCHEMBL4256263 0.77 POLB (0.70) POLBALDH1A1MAPTHPGDMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US claimed
JP-2008508314-A 2008-03-21 JP claimed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 EP claimed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 WO claimed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US disclosed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 POLB 2747/4885ALDH1A1 3483/4885MAPT 3273/4885

“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.