SCHEMBL6340375

SCHEMBL6340375

CN(C)C(C#N)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
ALPG P10696 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
AOC3 Q16853 2/20 0.39
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 1/20 0.37
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
CHRM1 P11229 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2088415 0.79 AOC3 (0.39) SMN1; SMN2LMNAALDH1A1ALPGTDP1
SCHEMBL9493695 0.79 GAA (0.45) SMN1; SMN2LMNAALDH1A1TDP1AOC3
SCHEMBL1275688 0.78 TRPA1 (0.46) SMN1; SMN2LMNAALDH1A1TDP1AOC3
SCHEMBL3447644 0.78 TRPA1 (0.46) SMN1; SMN2LMNAALDH1A1TDP1AOC3
SCHEMBL11234788 0.73 MAPT (0.39) SMN1; SMN2LMNAALDH1A1ALPGTDP1
SCHEMBL7865916 0.71 SMN1; SMN2 (0.40) SMN1; SMN2LMNAALDH1A1ALPGTDP1
SCHEMBL8088810 0.71 LMNA (0.46) SMN1; SMN2LMNAALDH1A1ALPGTDP1
SCHEMBL5313336 0.71 LMNA (0.39) SMN1; SMN2LMNAALDH1A1ALPGTDP1
SCHEMBL9491754 0.71 SLC6A3 (0.46) SMN1; SMN2LMNAALDH1A1HTTSLC6A2
SCHEMBL16226833 0.70 AOC3 (0.45) AOC3SLC6A2SLC6A4SLC6A3IDO1

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-6956132-B2 Process for producing 2-phenylacetophenone derivatives and precursors therefor ISHIHARA SANGYO KAISHA. LTD. (JP) 2005-10-18 US disclosed
US-20040176644-A1 Process for producing 2-phenylacetophenone derivatives and precursons therefor ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-09-09 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-20040176644-A1 Process for producing 2-phenylacetophenone derivatives and precursons therefor CYP2A6, CYP2B6, CYP1B1 SMN1; SMN2 4848/4885LMNA 4289/4885ALDH1A1 56/4885

“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.