SCHEMBL9944344

SCHEMBL9944344

CCOc1cc(C(=O)Nc2ccc(C=O)cc2)cc(OC(CC)CC)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
KMT2A Q03164 7/20 0.45
MAPT P10636 7/20 0.45
MEN1 O00255 6/20 0.45
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 1/20 0.39
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
SCHEMBL9944246 0.87 MEN1 (0.47) GAAKMT2AMAPTMEN1LMNA
SCHEMBL1458159 0.87 MEN1 (0.56) GAAKMT2AMAPTMEN1LMNA
SCHEMBL1458139 0.86 MAPT (0.49) GAAKMT2AMAPTMEN1LMNA
SCHEMBL9944347 0.86 MAPT (0.45) GAAKMT2AMAPTMEN1LMNA
SCHEMBL9944329 0.85 KCNQ3 (0.46) GAAKMT2AMAPTMEN1LMNA
SCHEMBL9944346 0.82 TAS1R3 (0.53) GAAKMT2AMAPTMEN1LMNA
SCHEMBL9944249 0.81 KCNK3 (0.44) GAAKMT2AMAPTMEN1LMNA
SCHEMBL9944330 0.81 GAA (0.51) GAAKMT2AMAPTMEN1LMNA
SCHEMBL9944250 0.81 KCNQ3 (0.48) GAAKMT2AMAPTMEN1LMNA
SCHEMBL1459303 0.81 MEN1 (0.48) GAAKMT2AMAPTMEN1LMNA

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 GAA 149/4885KMT2A 1418/4885MAPT 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.