SCHEMBL5457647

SCHEMBL5457647

O=C(Nc1cc(Cl)ccc1C(=O)O)c1c[c]ccc1O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.54
▸ GRIK1 P39086 14/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ KCNK2 O95069 1/20 0.48
▸ KCNK10 P57789 1/20 0.48
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 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
SCHEMBL5468406 0.86 KCNMA1 (0.56) KCNMA1MEN1KMT2APKMALDH1A1
SCHEMBL5460243 0.86 KCNMA1 (0.50) KCNMA1MEN1KMT2APKMNPSR1
SCHEMBL5460406 0.81 KCNMA1 (0.62) KCNMA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL14363391 0.77 PPARG (0.66) KCNMA1GRIK1MEN1KMT2APKM
SCHEMBL1308769 0.77 PPARG (0.69) GRIK1MEN1KMT2APKMNPSR1
SCHEMBL1308714 0.74 MEN1 (0.76) KCNMA1GRIK1MEN1KMT2APKM
SCHEMBL5462668 0.74 TAS1R3 (0.52) KCNMA1MEN1KMT2APKMKDM4E
SCHEMBL1308314 0.73 GRIK1 (0.69) KCNMA1GRIK1MEN1KMT2APKM
SCHEMBL29183052 0.73 GRIK1 (0.68) GRIK1MEN1KMT2APKMNPSR1
SCHEMBL1310106 0.73 GRIK1 (0.74) KCNMA1GRIK1MEN1KMT2APKM

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 KCNMA1 1503/4885GRIK1 1755/4885MEN1 2892/4885

“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.

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