SCHEMBL4259481

SCHEMBL4259481

Cc1cc(-c2csc(-c3cccc(N)c3)n2)cc2c1OCC(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
MAPT P10636 10/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
RAB9A P51151 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPK1 P28482 3/20 0.55
NPC1 O15118 2/20 0.55
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.47
PGR P06401 3/20 0.43
NR3C2 P08235 3/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
NR3C1 P04150 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL4267804 0.89 POLB (0.55) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL4264625 0.88 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL4260692 0.87 POLB (0.52) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL4267890 0.87 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL4267776 0.85 NR3C2 (0.48) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL4267968 0.85 POLB (0.49) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL4264187 0.84 CYP19A1 (0.53) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL4260284 0.84 MAPT (0.51) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL4259514 0.83 POLB (0.50) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL13932234 0.83 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1

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 3273/4885SMN1; SMN2 4786/4885

“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.