SCHEMBL4259506

SCHEMBL4259506

O=C1COc2ccc(-c3nc4c(s3)CCCC4)cc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
MAPT P10636 7/20 0.52
HPGD P15428 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
NR2F2 P24468 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
POLB P06746 1/20 0.47
RAB9A P51151 5/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 5/20 0.46
PARP1 P09874 1/20 0.45
MMP12 P39900 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 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
SCHEMBL4265183 0.78 MAPT (0.47) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL4259570 0.77 NR3C2 (0.45) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL4263441 0.76 RXFP1 (0.52) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL19954984 0.75 KDM4E (0.53) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL4262015 0.70 MMP12 (0.58) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL4270967 0.70 MAPT (0.55) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL4272682 0.70 MAPT (0.74) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL4258374 0.70 POLB (0.58) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL5214057 0.69 ALDH1A1 (0.60) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL4267740 0.69 POLB (0.69) ALDH1A1MAPTHPGDSMN1; SMN2LMNA

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 3273/4885HPGD 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.