SCHEMBL12898285

SCHEMBL12898285

Cc1ccccc1NC(=O)Nc1ncccc1N1CCCC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ KDM4E B2RXH2 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ GFER P55789 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ POLB P06746 3/20 0.48
▸ CDK5 Q00535 3/20 0.47
▸ CDK5R1 Q15078 3/20 0.47
▸ DYRK1A Q13627 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ITGB1 P05556 1/20 0.45
▸ ITGA4 P13612 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 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
SCHEMBL12898252 0.86 GFER (0.60) MAPTKDM4EGFERALDH1A1NPC1
SCHEMBL12898253 0.85 ALDH1A1 (0.45) NPSR1MAPTKDM4EGFERALDH1A1
SCHEMBL12898282 0.84 NPC1 (0.53) NPSR1L3MBTL1MAPTKDM4ENPC1
SCHEMBL12898263 0.81 MAPK1 (0.42) MAPTKDM4EGFERALDH1A1NPC1
SCHEMBL12898278 0.79 USP2 (0.53) MAPTKDM4EHPGDALDH1A1RAB9A
SCHEMBL12898271 0.79 TSHR (0.49) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL12898269 0.78 TRPV1 (0.44) NPSR1L3MBTL1MAPTKDM4ENPC1
SCHEMBL1269344 0.78 SHMT2 (0.53) L3MBTL1MAPTHPGDALDH1A1NPC1
SCHEMBL12898274 0.77 HPGD (0.49) L3MBTL1MAPTKDM4EHPGDALDH1A1
SCHEMBL12898245 0.77 RAB9A (0.51) NPSR1L3MBTL1MAPTHPGDGFER

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 1 patent. 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

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 NPSR1 4290/4885L3MBTL1 1593/4885MAPT 228/4885

“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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