SCHEMBL19533016

SCHEMBL19533016

CN(C)c1ccc(/C=N/Nc2nc(N)nc(N)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.66
▸ GAA P10253 5/20 0.66
▸ L3MBTL1 Q9Y468 5/20 0.66
▸ ALDH1A1 P00352 4/20 0.66
▸ KDM4E B2RXH2 4/20 0.66
▸ GFER P55789 1/20 0.66
▸ CTH P32929 1/20 0.58
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ MPO P05164 2/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ NOX3 Q9HBY0 1/20 0.52
▸ NOX4 Q9NPH5 1/20 0.52
▸ NOX1 Q9Y5S8 1/20 0.52
▸ CASP3 P42574 2/20 0.51

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
SCHEMBL28020711 1.00 MAPT (0.66) MAPTGAAL3MBTL1ALDH1A1KDM4E
SCHEMBL19434711 0.84 L3MBTL1 (0.58) MAPTGAAL3MBTL1ALDH1A1KDM4E
SCHEMBL19434707 0.84 L3MBTL1 (0.58) MAPTGAAL3MBTL1ALDH1A1KDM4E
SCHEMBL17560761 0.80 KMT2A (0.69) MAPTGAAL3MBTL1ALDH1A1KDM4E
SCHEMBL17560759 0.80 KMT2A (0.69) MAPTGAAL3MBTL1ALDH1A1KDM4E
SCHEMBL17560916 0.76 LMNA (0.66) MAPTGAAL3MBTL1ALDH1A1KDM4E
SCHEMBL17560913 0.76 LMNA (0.66) MAPTGAAL3MBTL1ALDH1A1KDM4E
SCHEMBL19434681 0.76 MAPT (0.56) MAPTGAAL3MBTL1ALDH1A1KDM4E
SCHEMBL19434684 0.76 MAPT (0.56) MAPTGAAL3MBTL1ALDH1A1KDM4E
SCHEMBL17561007 0.76 DDX3X (0.68) MAPTGAAALDH1A1CTHCA12

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-20170314007-A1 MEDICAMENT DESIGN POCKET OF ORNITHINE DECARBOXYLASE AND APPLICATION OF MEDICAMENT DESIGN POCKET CHINA THREE GORGES UNIVERSITY (CN) 2017-11-02 — — US disclosed
US-20170314007-A1 MEDICAMENT DESIGN POCKET OF ORNITHINE DECARBOXYLASE AND APPLICATION OF MEDICAMENT DESIGN POCKET CHINA THREE GORGES UNIVERSITY (CN) 2017-11-02 — — US 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-20170314007-A1 MEDICAMENT DESIGN POCKET OF ORNITHINE DECARBOXYLASE AND APPLICATION OF MEDICAMENT DESIGN POCKET ODC1, PLPBP, OTC MAPT 3741/4885GAA 3624/4885L3MBTL1 2584/4885

“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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