SCHEMBL13282912

SCHEMBL13282912

O=C(CC1CCCC1)Nn1c(SCc2cccc(F)c2)nc2ccccc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
LMNA P02545 7/20 0.56
ALDH1A1 P00352 8/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
RAB9A P51151 5/20 0.49
USP2 O75604 1/20 0.49
NPC1 O15118 3/20 0.48
ALDH1A2 O94788 2/20 0.46
ALDH1A3 P47895 2/20 0.46
MAOB P27338 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL13282910 0.94 L3MBTL1 (0.55) L3MBTL1LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL13283030 0.93 L3MBTL1 (0.63) L3MBTL1LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL13283029 0.90 RAB9A (0.60) L3MBTL1LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL13068698 0.87 NPSR1 (0.66) L3MBTL1LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL13283026 0.86 L3MBTL1 (0.54) L3MBTL1LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL13283032 0.86 L3MBTL1 (0.57) L3MBTL1LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL13283039 0.84 LMNA (0.50) L3MBTL1LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL13283021 0.84 MAPT (0.63) L3MBTL1LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL13283027 0.84 NPSR1 (0.53) L3MBTL1LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL13283035 0.83 RAB9A (0.59) L3MBTL1LMNAALDH1A1SMN1; SMN2MEN1

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-20100190746-A1 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-07-29 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-20100190746-A1 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS KCNQ1, KCNK17, KCNQ2 L3MBTL1 3260/4885LMNA 1144/4885ALDH1A1 2776/4885

“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.