SCHEMBL9944347

SCHEMBL9944347

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.45
TP53 P04637 3/20 0.43
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.40
NFKB1 P19838 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL9944329 0.89 KCNQ3 (0.46) MAPTTP53KCNK3KCNK9MEN1
SCHEMBL9944249 0.86 KCNK3 (0.44) MAPTTP53KCNK3KCNK9MEN1
SCHEMBL9944344 0.86 GAA (0.46) MAPTTP53KCNK3KCNK9MEN1
SCHEMBL1459303 0.85 MEN1 (0.48) MAPTTP53KCNK3KCNK9MEN1
SCHEMBL9944320 0.83 TAS1R3 (0.47) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL9944304 0.82 MAPT (0.50) MAPTTP53MEN1KMT2ALMNA
SCHEMBL9944246 0.81 MEN1 (0.47) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL1458159 0.81 MEN1 (0.56) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL1458139 0.81 MAPT (0.49) MAPTTP53MEN1KMT2ALMNA
SCHEMBL9944336 0.81 TP53 (0.51) MAPTTP53KMT2ALMNAPOLB

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 MAPT 150/4885TP53 533/4885KCNK3 4768/4885

“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.