SCHEMBL6466534

SCHEMBL6466534

C[C@H](C[C@@H](C)c1ccc(C(N)=O)nc1)NCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
SCN9A Q15858 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
VNN1 O95497 2/20 0.33
CNR2 P34972 3/20 0.32
ANO1 Q5XXA6 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
ACACB O00763 1/20 0.32
NAMPT P43490 1/20 0.32
GRM2 Q14416 3/20 0.32
PDPK1 O15530 1/20 0.32

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
SCHEMBL6469088 1.00 KMT2A (0.43) KMT2ASCN9ASCN10AKITFLT3
SCHEMBL5037523 1.00 KMT2A (0.43) KMT2ASCN9ASCN10AKITFLT3
SCHEMBL6470782 1.00 KMT2A (0.43) KMT2ASCN9ASCN10AKITFLT3
SCHEMBL6469029 1.00 KMT2A (0.43) KMT2ASCN9ASCN10AKITFLT3
SCHEMBL5133501 0.85 KMT2A (0.47) KMT2ASCN9ASCN10AKITFLT3
SCHEMBL5040582 0.82 KMT2A (0.35) KMT2AVNN1CTSLCTSSSIRT6
SCHEMBL6469024 0.82 KMT2A (0.39) KMT2AKITFLT3VNN1SIRT6
SCHEMBL6469032 0.81 PI4KB (0.33)
SCHEMBL6469091 0.81 PI4KB (0.33)
SCHEMBL6466538 0.81 PI4KB (0.33)

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA KMT2A 2085/4885SCN9A 666/4885SCN10A 347/4885

“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.