SCHEMBL9944329

SCHEMBL9944329

CCOc1cc(C(=O)Nc2ccc(C=O)c(F)c2)cc(OC(CC)CC)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
MAPT P10636 6/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
LMNA P02545 4/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 3/20 0.40
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KCNK3 O14649 1/20 0.38

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
SCHEMBL9944347 0.89 MAPT (0.45) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL9944250 0.86 KCNQ3 (0.48) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL1458169 0.85 KCNQ3 (0.47) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL9944344 0.85 GAA (0.46) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL9944290 0.81 TP53 (0.50) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL9944246 0.81 MEN1 (0.47) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL1458159 0.81 MEN1 (0.56) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL1458139 0.80 MAPT (0.49) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL9944249 0.79 KCNK3 (0.44) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL1459303 0.78 MEN1 (0.48) KCNQ3KCNQ2MAPTMEN1KMT2A

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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG KCNQ3 4487/4885KCNQ2 4326/4885MAPT 150/4885

“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.