SCHEMBL12898230

SCHEMBL12898230

O=C(Nc1ccc2c(c1)OCCO2)Nc1ccc(N2CCCC2=O)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 12/20 0.54
▸ LMNA P02545 3/20 0.54
▸ NPC1 O15118 11/20 0.53
▸ RAB9A P51151 10/20 0.53
▸ MAPT P10636 8/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ POLB P06746 2/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ NFKB2 Q00653 2/20 0.49
▸ RELA Q04206 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.47
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GAA P10253 2/20 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
SCHEMBL12898229 0.80 MAPT (0.77) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL12898256 0.79 SHMT2 (0.52) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL12898234 0.78 F10 (0.50) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL12898221 0.78 SMN1; SMN2 (0.55) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL12898237 0.77 GAA (0.54) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL12898233 0.75 MAPK1 (0.48) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL11117922 0.74 LMNA (0.63) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL12898240 0.73 HPGD (0.60) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL12898245 0.73 RAB9A (0.51) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL12898236 0.72 USP2 (0.50) SMN1; SMN2LMNAMAPTMAPK1HPGD

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-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — US disclosed
US-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP SMN1; SMN2 865/4885LMNA 1199/4885NPC1 1656/4885

“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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