SCHEMBL12898256

SCHEMBL12898256

O=C(Nc1ccc2c(c1)OCCO2)Nc1ncccc1N1CCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 2/20 0.52
▸ SMN1; SMN2 Q16637 11/20 0.50
▸ NPC1 O15118 11/20 0.50
▸ RAB9A P51151 11/20 0.50
▸ MAPT P10636 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ POLB P06746 2/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ LMNA P02545 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ TP53 P04637 3/20 0.47
▸ ATM Q13315 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ BAZ1A Q9NRL2 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
SCHEMBL12898282 0.82 NPC1 (0.53) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL12898258 0.81 SMN1; SMN2 (0.67) SHMT2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL12898271 0.80 TSHR (0.49) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL12898269 0.79 TRPV1 (0.44) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL12898265 0.79 FPR2 (0.44) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL12898255 0.79 PPIA (0.51) NPC1RAB9AMEN1KMT2A
SCHEMBL12898230 0.79 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL12898251 0.78 PPIF (0.52) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL1269344 0.78 SHMT2 (0.53) SHMT2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL12898263 0.76 MAPK1 (0.42) SMN1; SMN2NPC1RAB9AMAPTMEN1

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 SHMT2 433/4885SMN1; SMN2 865/4885NPC1 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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