SCHEMBL1786408

SCHEMBL1786408

CC(C)(C)N1C(=O)c2ccc(C(F)(F)F)cc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
POLB P06746 1/20 0.43
GFER P55789 1/20 0.43
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
CA2 P00918 1/20 0.39
MAPT P10636 1/20 0.39
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
TDP2 O95551 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL19702942 0.85 CA9 (0.53) RAB9ANPC1POLBGFERCA9
SCHEMBL5535855 0.81 ALDH1A1 (0.50) POLBCA9CA12MEN1KMT2A
SCHEMBL21853741 0.78 PARP1 (0.40) CA9CA12CA1ALDH1A1CA2
SCHEMBL13495399 0.77 MASP2 (0.45) RAB9ANPC1CA9CA12CA1
SCHEMBL2261723 0.77 PARP1 (0.37) CA9CA12CA1ALDH1A1PARP1
SCHEMBL19702951 0.77 RAB9A (0.48) RAB9ANPC1POLBGFERCA9
SCHEMBL24380220 0.77 RAB9A (0.36) RAB9ANPC1POLBGFERCA9
SCHEMBL26757094 0.76 ALDH1A1 (0.49) RAB9ANPC1POLBCA9CA12
SCHEMBL818933 0.76 CA9 (0.42) RAB9ANPC1POLBGFERCA9
SCHEMBL13714121 0.76 RAB9A (0.47) RAB9ANPC1POLBGFERCA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 US disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 EP disclosed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 WO disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 RAB9A 1521/4885NPC1 326/4885POLB 4381/4885

“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.