SCHEMBL4258367

SCHEMBL4258367

O=C1CSc2ccc(-c3ccccc3)cc2N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAOA P21397 6/20 0.49
MAOB P27338 6/20 0.49
EPHX2 P34913 1/20 0.49
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
TDP2 O95551 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL4652613 0.77 HTT (0.76) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL13323 0.77 ALDH1A1 (0.60) HTTCYP11B1CYP11B2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL30648399 0.75 ALDH1A1 (0.58) HTTCYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL30648377 0.75 EPHX2 (0.47) HTTCYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL30199790 0.75 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL15875502 0.75 HTT (0.59) HTTCYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL3601956 0.75 HTT (0.59) HTTCYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL10509516 0.75 HTT (0.59) HTTCYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL1332876 0.75 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL7454625 0.75 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB

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 HTT 1776/4885CYP11B1 57/4885CYP11B2 69/4885

“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.