SCHEMBL5457651

SCHEMBL5457651

O=C(Nc1ccc(Cl)nc1)c1c[c]ccc1O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 18/20 0.52
▸ KCNQ2 O43526 18/20 0.52
▸ KCNE1 P15382 14/20 0.52
▸ KCNQ1 P51787 14/20 0.52
▸ BACE1 P56817 1/20 0.51
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5455155 0.86 MEN1 (0.40) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL5462336 0.81 RAB9A (0.53) RAB9ASMN1; SMN2
SCHEMBL6199317 0.79 KCNQ3 (0.72) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5469832 0.78 LMNA (0.60) RAB9ASMN1; SMN2
SCHEMBL14885954 0.78 P2RX1 (0.70) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL5463888 0.78 PTGS1 (0.56) RAB9A
SCHEMBL14363248 0.76 RAB9A (0.57) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5468300 0.76 SNCA (0.56) RAB9A
SCHEMBL5462663 0.74 MEN1 (0.47) RAB9ASMN1; SMN2
SCHEMBL5464092 0.74 TOP1 (0.46) —

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 KCNQ3 4820/4885KCNQ2 4674/4885KCNE1 3848/4885

“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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