SCHEMBL12898282

SCHEMBL12898282

O=C(Nc1ccccc1)Nc1ncccc1N1CCCC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ HTT P42858 2/20 0.53
▸ ATM Q13315 1/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ TSHR P16473 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ PPIA P62937 3/20 0.47
▸ HPGDS O60760 1/20 0.47
▸ ADORA3 P0DMS8 2/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ PIM3 Q86V86 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ MAPT P10636 3/20 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
SCHEMBL12898271 0.90 TSHR (0.49) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL12898255 0.87 PPIA (0.51) NPC1RAB9AMEN1KMT2APPIA
SCHEMBL12898269 0.87 TRPV1 (0.44) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL12898265 0.87 FPR2 (0.44) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL12898251 0.86 PPIF (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12898253 0.84 ALDH1A1 (0.45) ATMSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL12898285 0.84 NPSR1 (0.55) NPC1RAB9AHTTATMSMN1; SMN2
SCHEMBL1269344 0.83 SHMT2 (0.53) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL12898263 0.83 MAPK1 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12898256 0.82 SHMT2 (0.52) NPC1RAB9AATMSMN1; SMN2MEN1

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 NPC1 1656/4885RAB9A 2254/4885HTT 3322/4885

“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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