SCHEMBL4259599

SCHEMBL4259599

O=C1COc2ccc(-c3ccc(-c4cccnc4)s3)cc2N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.65
CYP11B2 P19099 6/20 0.65
NR3C2 P08235 7/20 0.52
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 3/20 0.49
PGR P06401 3/20 0.48
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MMP12 P39900 1/20 0.46
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL4262015 0.81 MMP12 (0.58) NR3C2ALDH1A1MAPTHPGDKMT2A
SCHEMBL4265366 0.81 MAPT (0.69) CYP11B1CYP11B2ALDH1A1MAPTHPGD
SCHEMBL4265347 0.80 CYP11B1 (0.60) CYP11B1CYP11B2NR3C2ALDH1A1MAPT
SCHEMBL1119431 0.79 CYP11B1 (1.00) CYP11B1CYP11B2NR3C2CYP1A2PDE3B
SCHEMBL16090321 0.77 CYP11B1 (0.78) CYP11B1CYP11B2PGRCYP1A2PDE3B
SCHEMBL5214057 0.75 ALDH1A1 (0.60) CYP11B1CYP11B2NR3C2ALDH1A1MAPT
SCHEMBL30648411 0.75 MAPT (0.57) CYP11B1CYP11B2NR3C2ALDH1A1MAPT
SCHEMBL304764 0.75 MAPT (0.62) CYP11B1CYP11B2NR3C2ALDH1A1MAPT
SCHEMBL1191329 0.74 CYP11B1 (0.64) CYP11B1CYP11B2NR3C2CYP1A2PDE3B
SCHEMBL13932057 0.73 CYP11B1 (0.57) CYP11B1CYP11B2NR3C2ALDH1A1MAPT

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 7 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
CN-101365696-A Compounds and compositions as modulators of steroid hormone nuclear receptors IRM LLC (BM) 2009-02-11 CN 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 CYP11B1 57/4885CYP11B2 69/4885NR3C2 7/4885

“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.