SCHEMBL6131099

SCHEMBL6131099

C=CC(=O)Nc1cccc(C(=O)OC(C)(C)C)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.40
TGM2 P21980 7/20 0.38
F13A1 P00488 5/20 0.38
TGM1 P22735 5/20 0.38
BTK Q06187 6/20 0.38
JAK3 P52333 2/20 0.38
TEC P42680 1/20 0.38
TXK P42681 1/20 0.38
BMX P51813 1/20 0.38
ITK Q08881 1/20 0.38
ERBB4 Q15303 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HIF1A Q16665 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL1064807 0.82 KDM4E (0.42) MAPK3TGM2F13A1TGM1BTK
SCHEMBL27828771 0.80 KDM4E (0.47) KDM4EALDH1A1MAPTADRA1AADRA1B
SCHEMBL5614479 0.76 ALDH1A1 (0.38) HPGDKDM4EALDH1A1GLAGAA
SCHEMBL16681024 0.76 THRB (0.39) HPGDKDM4EALDH1A1GLAGAA
SCHEMBL29352309 0.75 TGM2 (0.46) MAPK3TGM2F13A1TGM1ALDH1A1
SCHEMBL1064806 0.75 TGM2 (0.46) MAPK3TGM2F13A1TGM1ALDH1A1
SCHEMBL17931860 0.74 TGM2 (0.46) TGM2BTKJAK3TECTXK
SCHEMBL6542697 0.74 ALDH1A1 (0.46) HPGDKDM4EALDH1A1GLAGAA
SCHEMBL16096123 0.74 TGM2 (0.47) TGM2F13A1TGM1BTKJAK3
SCHEMBL14877164 0.72 RXFP1 (0.48) KDM4EHTT

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-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 MAPK3 1233/4885TGM2 1652/4885F13A1 3999/4885

“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.