SCHEMBL5462298

SCHEMBL5462298

COC(=O)c1cccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)o3)C2=O)c1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XPA P23025 10/20 0.81
CLEC4M Q9H2X3 2/20 0.61
CTSB P07858 1/20 0.57
ERO1A Q96HE7 2/20 0.55
KDM1A O60341 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
GSK3A P49840 1/20 0.47
MEN1 O00255 1/20 0.47
APAF1 O14727 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EP300 Q09472 1/20 0.43

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
SCHEMBL5462301 1.00 XPA (0.81) XPACLEC4MCTSBERO1AKDM1A
SCHEMBL5457416 0.91 XPA (0.79) XPACLEC4MCTSBERO1AKDM1A
SCHEMBL5457418 0.91 XPA (0.79) XPACLEC4MCTSBERO1AKDM1A
SCHEMBL19654116 0.89 XPA (1.00) XPACLEC4MCTSBERO1AKDM1A
SCHEMBL20840345 0.77 XPA (0.73) XPACTSBERO1AKDM1AMAOA
SCHEMBL20840344 0.77 XPA (0.73) XPACTSBERO1AKDM1AMAOA
SCHEMBL22219633 0.77 XPA (0.73) XPACTSBERO1AKDM1AMAOA
SCHEMBL20848009 0.76 ERO1A (0.77) XPACTSBERO1AKDM1AMAOA
SCHEMBL20840310 0.76 ERO1A (0.77) XPACTSBERO1AKDM1AMAOA
SCHEMBL20840309 0.76 ERO1A (0.77) XPACTSBERO1AKDM1AMAOA

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 2779/4885CTSB 199/4885

“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.