SCHEMBL4258357

SCHEMBL4258357

O=C1COc2ccc(-c3csc(-c4ccccc4O)n3)cc2N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.65
ALDH1A1 P00352 11/20 0.65
HPGD P15428 2/20 0.65
POLB P06746 1/20 0.65
KMT2A Q03164 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
MAPK1 P28482 3/20 0.63
MEN1 O00255 3/20 0.63
RAB9A P51151 3/20 0.63
NPC1 O15118 1/20 0.63
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.58
NPSR1 Q6W5P4 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 1/20 0.52
THRB P10828 1/20 0.52

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
SCHEMBL4267359 0.88 MAPT (0.67) MAPTALDH1A1HPGDPOLBKMT2A
SCHEMBL4267996 0.87 POLB (0.77) MAPTALDH1A1HPGDPOLBKMT2A
SCHEMBL4265176 0.86 POLB (0.75) MAPTALDH1A1HPGDPOLBKMT2A
SCHEMBL4267313 0.85 MAPT (0.62) MAPTALDH1A1HPGDPOLBKMT2A
SCHEMBL4272682 0.84 MAPT (0.74) MAPTALDH1A1HPGDPOLBKMT2A
SCHEMBL4262035 0.84 ALDH1A1 (0.74) MAPTALDH1A1HPGDPOLBKMT2A
SCHEMBL4263376 0.83 ALDH1A1 (0.69) MAPTALDH1A1HPGDPOLBKMT2A
SCHEMBL4264659 0.83 ALDH1A1 (0.65) MAPTALDH1A1HPGDPOLBKMT2A
SCHEMBL4267807 0.82 MAPT (0.62) MAPTALDH1A1HPGDPOLBKMT2A
SCHEMBL13932203 0.82 MAPT (0.68) MAPTALDH1A1HPGDPOLBKMT2A

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 MAPT 3273/4885ALDH1A1 3483/4885HPGD 425/4885

“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.