SCHEMBL5424191

SCHEMBL5424191

Oc1ccc2cc(-c3c[nH]c4ccccc34)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 9/20 0.63
ESR2 Q92731 2/20 0.54
NR4A2 P43354 1/20 0.53
AR P10275 1/20 0.52
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
ASH1L Q9NR48 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALOX5 P09917 1/20 0.50
ESR1 P03372 1/20 0.50
IMPDH2 P12268 2/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL13302385 0.87 ESR2 (0.49) TDO2ESR2ESR1
SCHEMBL29713619 0.87 TDO2 (0.70) TDO2NR4A2PDGFRBPDGFRAASH1L
SCHEMBL1071072 0.83 NR4A2 (0.68) TDO2ESR2NR4A2ARASH1L
SCHEMBL3872843 0.79 TDO2 (0.53) TDO2NR4A2ARPDGFRBPDGFRA
SCHEMBL13323772 0.77 MAP3K14 (0.48) TDO2ESR2ESR1
SCHEMBL13302421 0.77 TDO2 (0.40) TDO2ESR2ESR1
SCHEMBL2874826 0.77 PTPN1 (0.47) TDO2ESR2MEN1NPC1HPGD
SCHEMBL28377762 0.77 NR4A2 (0.81) TDO2NR4A2PDGFRBPDGFRAASH1L
SCHEMBL3330981 0.77 CDC7 (0.72)
SCHEMBL940968 0.76 MAP3K11 (0.58) TDO2NR4A2PDGFRBPDGFRAASH1L

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893576-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-03-05 EP disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 US disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 US disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 US disclosed
WO-2006125324-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-11-30 WO 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-20070015813-A1 Treatment of protein folding disorders HSPA5, TTR, TUFM TDO2 775/4885ESR2 3195/4885NR4A2 4594/4885

“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.