SCHEMBL8053155

SCHEMBL8053155

CC(SC#N)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 4/20 0.38
ALPG P10696 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
LIMK1 P53667 1/20 0.33
LIMK2 P53671 1/20 0.33
ACHE P22303 1/20 0.32
CTSL P07711 2/20 0.32
DAO P14920 1/20 0.32
AOC3 Q16853 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
SCHEMBL8763308 0.89 ESR1 (0.34)
SCHEMBL29704594 0.81 ALDH1A1 (0.39) LMNASMN1; SMN2ALDH1A1TDP1HTT
SCHEMBL21424438 0.79 CES2 (0.31)
SCHEMBL22811766 0.79 CES2 (0.31)
SCHEMBL2936982 0.78 TRPA1 (0.41) LMNAALDH1A1HPGD
SCHEMBL576267 0.75 IDO1 (0.50) ALDH1A1IDO1TDO2HTTACHE
SCHEMBL575745 0.75 IDO1 (0.41) ALDH1A1IDO1TDO2HTTACHE
SCHEMBL21424455 0.72 CYP11B1 (0.35)
SCHEMBL22811772 0.72 CYP11B1 (0.35)
SCHEMBL8088810 0.71 LMNA (0.46) LMNASMN1; SMN2ALDH1A1ALPGTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009392-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-13 US disclosed
US-20110009392-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-13 US disclosed
WO-2009020580-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-02-12 WO 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-20110009392-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 LMNA 676/4885SMN1; SMN2 470/4885ALDH1A1 3991/4885

“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.