SCHEMBL4263377

SCHEMBL4263377

O=C1COc2ccc(-c3csc(-c4ccc5[nH]ncc5c4)n3)cc2N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
ALDH1A1 P00352 10/20 0.64
MAPT P10636 8/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
KMT2A Q03164 4/20 0.64
RAB9A P51151 4/20 0.64
MAPK1 P28482 3/20 0.64
MEN1 O00255 3/20 0.64
NPC1 O15118 2/20 0.64
HPGD P15428 1/20 0.63
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HTT P42858 2/20 0.52
GAA P10253 1/20 0.51
ROCK2 O75116 4/20 0.50
PIM1 P11309 4/20 0.50
GSK3B P49841 4/20 0.50
AURKB Q96GD4 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL4259591 0.84 POLB (0.49) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4257227 0.83 POLB (0.70) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4270936 0.83 POLB (0.70) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4256263 0.83 POLB (0.70) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4272682 0.83 MAPT (0.74) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4267996 0.83 POLB (0.77) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4262059 0.82 POLB (0.75) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4267740 0.82 POLB (0.69) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4259548 0.82 POLB (0.78) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4265357 0.82 POLB (0.75) POLBALDH1A1MAPTSMN1; SMN2KMT2A

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.