SCHEMBL5424839

SCHEMBL5424839

O=C(O)c1ccc2c(-c3c[nH]c4ccccc34)c[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.61
BRD4 O60885 1/20 0.54
PARP1 P09874 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
PDE10A Q9Y233 1/20 0.48
PRKD3 O94806 1/20 0.46
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
ABL1 P00519 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
CDK1 P06493 1/20 0.46
PIM1 P11309 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
PRKCA P17252 1/20 0.46
PRKACA P17612 1/20 0.46

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
SCHEMBL5429419 0.90 PTPN1 (0.61) PTPN1BRD4NPC1RAB9AKDM4E
SCHEMBL30478008 0.89 MMP2 (0.53) PTPN1BRD4PRKD3CCNB2CCNE2
SCHEMBL179165 0.87 PTPN1 (0.61) PTPN1PARP1MMP2CASP3SENP8
SCHEMBL24100696 0.83 GPR84 (0.62) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL30482364 0.83 GPR84 (0.62) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL13302313 0.83 PTPN1 (0.51) PTPN1KDM4EMAPTSIRT2KMT2A
SCHEMBL16509551 0.83 MEN1 (0.52) PTPN1BRD4NPC1RAB9AKDM4E
SCHEMBL6948651 0.82 CAMKK2 (0.60) BRD4PDE10ASIRT2GPR84GAA
SCHEMBL31695045 0.80 CHEK2 (0.55) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL14572834 0.79 PTPN1 (0.53) PTPN1PARP1KDM4ECCNE1CDK2

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
EP-1893576-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-03-05 EP claimed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 US claimed
WO-2006125324-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-11-30 WO claimed
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
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 PTPN1 4634/4885BRD4 509/4885PARP1 2328/4885

“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.