SCHEMBL5457418

SCHEMBL5457418

COC(=O)c1cccc(N2N=C(C(F)(F)F)C(=Cc3ccc(-c4cc(Cl)cc(Cl)c4)o3)C2=O)c1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XPA P23025 9/20 0.79
CLEC4M Q9H2X3 2/20 0.60
ERO1A Q96HE7 2/20 0.58
KDM1A O60341 1/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
CTSB P07858 1/20 0.56
EP300 Q09472 1/20 0.48
PTPN1 P18031 1/20 0.48
GSK3A P49840 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
SCHEMBL5457416 1.00 XPA (0.79) XPACLEC4MERO1AKDM1AMAOA
SCHEMBL5462301 0.91 XPA (0.81) XPACLEC4MERO1AKDM1AMAOA
SCHEMBL5462298 0.91 XPA (0.81) XPACLEC4MERO1AKDM1AMAOA
SCHEMBL19654116 0.89 XPA (1.00) XPACLEC4MERO1AKDM1AMAOA
SCHEMBL20840345 0.80 XPA (0.73) XPAERO1AKDM1AMAOAMAOB
SCHEMBL20840344 0.80 XPA (0.73) XPAERO1AKDM1AMAOAMAOB
SCHEMBL22219633 0.80 XPA (0.73) XPAERO1AKDM1AMAOAMAOB
SCHEMBL20840310 0.79 ERO1A (0.77) XPAERO1AKDM1AMAOAMAOB
SCHEMBL20848009 0.79 ERO1A (0.77) XPAERO1AKDM1AMAOAMAOB
SCHEMBL20840309 0.79 ERO1A (0.77) XPAERO1AKDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 EP 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 XPA 2030/4885CLEC4M 2779/4885ERO1A 1559/4885

“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.