SCHEMBL3066549

SCHEMBL3066549

CC(=O)N(Cc1ccc(Cl)nc1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK14 Q16539 1/20 0.43
CYP3A4 P08684 2/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
BACE1 P56817 1/20 0.42
MDM2 Q00987 1/20 0.41
ATM Q13315 1/20 0.41
PDK1 Q15118 2/20 0.41
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 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
SCHEMBL13090592 0.86 LTB4R2 (0.52) ALDH1A1MEN1KMT2ACYP3A4ATM
SCHEMBL3071604 0.86 BCL2A1 (0.44) BCL2A1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL3065683 0.83 BCL2A1 (0.42) BCL2A1ALDH1A1KCNQ3KCNQ2KCNE1
SCHEMBL3822748 0.82 BCL2A1 (0.52) BCL2A1MAPK14KCNQ3KCNQ2KCNE1
SCHEMBL4738782 0.81 MAPK14 (0.45) BCL2A1ALDH1A1MAPK14KCNQ3KCNQ2
SCHEMBL3071006 0.81 CACNA1H (0.47) BCL2A1ALDH1A1MEN1KMT2AMAPK14
SCHEMBL4734214 0.79 MAPK14 (0.43) BCL2A1ALDH1A1MEN1KMT2AMAPK14
SCHEMBL4784324 0.79 PDK1 (0.46) BCL2A1ALDH1A1MEN1KMT2AMAPK14
SCHEMBL4733913 0.78 PDK1 (0.43) BCL2A1ALDH1A1MAPK14KCNQ3KCNQ2
SCHEMBL4737107 0.78 GAA (0.58) BCL2A1KMT2AMAPK14CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S BCL2A1 956/4885ALDH1A1 957/4885MEN1 2337/4885

“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.