SCHEMBL9944249

SCHEMBL9944249

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 3/20 0.44
POLB P06746 2/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 6/20 0.44
MAPK1 P28482 1/20 0.44
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
TP53 P04637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CASP1 P29466 1/20 0.42
CREBBP Q92793 1/20 0.42

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
SCHEMBL1459303 0.93 MEN1 (0.48) KCNK3KCNK9MEN1KMT2ALMNA
SCHEMBL9944246 0.89 MEN1 (0.47) MEN1KMT2ALMNAGAAPOLB
SCHEMBL9944250 0.89 KCNQ3 (0.48) KCNK3KCNK9MEN1KMT2ALMNA
SCHEMBL9944347 0.86 MAPT (0.45) KCNK3KCNK9MEN1KMT2ALMNA
SCHEMBL1458159 0.85 MEN1 (0.56) MEN1KMT2ALMNAGAAPOLB
SCHEMBL1458139 0.84 MAPT (0.49) MEN1KMT2ALMNAGAAPOLB
SCHEMBL1458169 0.84 KCNQ3 (0.47) KCNK3KCNK9MEN1KMT2ALMNA
SCHEMBL9944252 0.84 RORC (0.50) KCNK3KCNK9MEN1KMT2APOLB
SCHEMBL9944121 0.83 TDP1 (0.43) MEN1KMT2ALMNAGAAPOLB
SCHEMBL9944237 0.83 TAS1R3 (0.48) MEN1KMT2ALMNAGAAPOLB

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-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
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 (2 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 KCNK3 4768/4885KCNK9 4365/4885MEN1 4809/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG KCNK3 4768/4885KCNK9 4365/4885MEN1 4809/4885

“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.