SCHEMBL12898278

SCHEMBL12898278

CCCNC(=O)Nc1ncccc1N1CCCC1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.53
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CDK8 P49336 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL12898250 0.86 RAB9A (0.52) TSHRKMT2AALDH1A1HSD17B10RAB9A
SCHEMBL12898281 0.84 NLRP3 (0.43) TSHRALDH1A1HSD17B10RAB9ASMN1; SMN2
SCHEMBL12898272 0.83 TSHR (0.40) USP2TSHRKMT2AHSD17B10RAB9A
SCHEMBL12898263 0.82 MAPK1 (0.42) KMT2AALDH1A1RAB9ASMN1; SMN2APOBEC3A
SCHEMBL12898282 0.80 NPC1 (0.53) TSHRKMT2ARAB9ASMN1; SMN2HTT
SCHEMBL12898285 0.79 NPSR1 (0.55) KMT2AALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL12898274 0.78 HPGD (0.49) TSHRKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL12898264 0.77 HPGD (0.51) TSHRKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL12898271 0.77 TSHR (0.49) TSHRKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL12898269 0.77 TRPV1 (0.44) KMT2ARAB9ASMN1; SMN2HTTMAPT

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 USP2 4264/4885TSHR 4679/4885KMT2A 575/4885

“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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