SCHEMBL4258351

SCHEMBL4258351

O=C1COc2ccc(-c3csc(-c4cccc(C(F)(F)F)c4)n3)cc2N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.70
MAPT P10636 8/20 0.70
KMT2A Q03164 6/20 0.70
MEN1 O00255 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
MAPK1 P28482 3/20 0.70
RAB9A P51151 2/20 0.70
NPC1 O15118 1/20 0.70
POLB P06746 1/20 0.63
HPGD P15428 2/20 0.61
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RXFP1 Q9HBX9 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
SCHEMBL4272560 0.87 MAPT (0.74) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4267996 0.85 POLB (0.77) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4272682 0.85 MAPT (0.74) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4262035 0.85 ALDH1A1 (0.74) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4260402 0.85 MAPT (0.74) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4271505 0.85 MAPT (0.74) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4271523 0.85 MAPT (0.77) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4262010 0.85 MAPT (0.74) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4273018 0.83 MAPT (0.60) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4267313 0.83 MAPT (0.62) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2

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 ALDH1A1 3483/4885MAPT 3273/4885KMT2A 2774/4885

“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.