SCHEMBL5423463

SCHEMBL5423463

O=C(O)c1cccc2[nH]cc(-c3c[nH]c4ccccc34)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
PDE10A Q9Y233 1/20 0.50
BRD4 O60885 1/20 0.49
GPR84 Q9NQS5 1/20 0.49
MAPK1 P28482 1/20 0.46
PBRM1 Q86U86 2/20 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
PIM1 P11309 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) MEN1KMT2AMAPTKDM4EPDE10A
SCHEMBL30234471 0.85 MAPT (0.53) MEN1KMT2AMAPTKDM4EPDE10A
SCHEMBL5429949 0.84 PBRM1 (0.51) PARP1MEN1KMT2AMAPTKDM4E
SCHEMBL64182 0.77 GPR84 (0.77) MEN1KMT2AKDM4EGPR84MAPK1
Hydrochloric Acid SCHEMBL29435427 0.76 GPR84 (0.74) MEN1KMT2AKDM4EGPR84MAPK1
SCHEMBL27837528 0.76 GPR84 (0.74) MEN1KMT2AKDM4EGPR84MAPK1
SCHEMBL27656464 0.76 GPR84 (0.74) MEN1KMT2AKDM4EGPR84MAPK1
Hydrochloric Acid SCHEMBL28246505 0.76 GPR84 (0.74) MEN1KMT2AKDM4EGPR84MAPK1
SCHEMBL29272694 0.76 GPR84 (0.74) MEN1KMT2AKDM4EGPR84MAPK1
Hydrochloric Acid SCHEMBL7437913 0.76 GPR84 (0.74) MEN1KMT2AKDM4EGPR84MAPK1

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 PARP1 2328/4885MEN1 4065/4885KMT2A 3723/4885

“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.