SCHEMBL5429949

SCHEMBL5429949

O=C(O)c1cccc2c(-c3c[nH]c4ccccc34)c[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 2/20 0.51
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PDE10A Q9Y233 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
BRD4 O60885 1/20 0.49
GPR84 Q9NQS5 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ATM Q13315 1/20 0.46
PRKD3 O94806 1/20 0.45
CCNB2 O95067 1/20 0.45
CCNE2 O96020 1/20 0.45
ABL1 P00519 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
CDK1 P06493 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
SCHEMBL9272191 0.85 MAPT (0.53) PBRM1MAPTKDM4EPDE10ASMN1; SMN2
SCHEMBL30234471 0.85 MAPT (0.53) PBRM1MAPTKDM4EPDE10ASMN1; SMN2
SCHEMBL5423463 0.84 PARP1 (0.51) PBRM1MAPTKDM4EPDE10ASMN1; SMN2
SCHEMBL13302425 0.83 NR4A2 (0.46) SMN1; SMN2HTTGPR84MEN1KMT2A
SCHEMBL29415445 0.79 HTT (0.59) PBRM1MAPTKDM4ESMN1; SMN2HTT
SCHEMBL2811213 0.79 HTT (0.59) PBRM1MAPTKDM4ESMN1; SMN2HTT
SCHEMBL13302333 0.79 GABRP (0.50) MEN1KMT2ACDK2
SCHEMBL64182 0.77 GPR84 (0.77) PBRM1KDM4EGPR84MEN1KMT2A
Hydrochloric Acid SCHEMBL29435427 0.76 GPR84 (0.74) PBRM1KDM4EGPR84MEN1KMT2A
Hydrochloric Acid SCHEMBL7437913 0.76 GPR84 (0.74) PBRM1KDM4EGPR84MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 US disclosed
WO-2008058402-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-05-22 WO disclosed
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 (2 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-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS SNCA, MAPT, APP PBRM1 324/4885MAPT 2/4885KDM4E 1608/4885
US-20070015813-A1 Treatment of protein folding disorders HSPA5, TTR, TUFM PBRM1 1153/4885MAPT 144/4885KDM4E 3502/4885

“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.