SCHEMBL14077643

SCHEMBL14077643

Cc1c(F)cc(C(=O)Nc2ccon2)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 5/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
MAPK14 Q16539 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LCK P06239 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 3/20 0.37
LMNA P02545 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
SCHEMBL22468530 0.83 MAPK14 (0.51) SMN1; SMN2KDM4ETSHRALDH1A1L3MBTL1
SCHEMBL13948889 0.82 LIPE (0.36) RAB9ACYP2C19NPC1
SCHEMBL22468524 0.80 SMN1; SMN2 (0.50) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL14077653 0.80 SMN1; SMN2 (0.56) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL4740641 0.78 SMN1; SMN2 (0.54) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL2214493 0.77 MAPK14 (0.40) MAPK14KMT2ALCK
SCHEMBL4225203 0.77 SIRT2 (0.38) MAPK14
SCHEMBL14077637 0.77 HDAC1 (0.37)
SCHEMBL4684166 0.77 SMN1; SMN2 (0.53) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL14630700 0.77 CA1 (0.53) SMN1; SMN2GAAKDM4ETSHRALDH1A1

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-20080214623-A1 N-(2,2-Dimethylpropyl)-6- -3-Pyridinecarboxamide CHANDI AMRIK 2008-09-04 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-20080214623-A1 N-(2,2-Dimethylpropyl)-6- -3-Pyridinecarboxamide MAPKAPK2, MAP3K2, MAP4K2 SMN1; SMN2 741/4885GAA 3239/4885KDM4E 3046/4885

“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.