SCHEMBL3071604

SCHEMBL3071604

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.40
RIPK1 Q13546 2/20 0.39
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
BACE1 P56817 1/20 0.39
PDK1 Q15118 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MDM2 Q00987 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
QPCT Q16769 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL3066549 0.86 BCL2A1 (0.47) BCL2A1ALDH1A1KCNQ3KCNQ2KCNE1
SCHEMBL3065683 0.84 BCL2A1 (0.42) BCL2A1ALDH1A1KCNQ3KCNQ2KCNE1
SCHEMBL3056261 0.84 POLB (0.41) BCL2A1POLBRIPK1PDK1MEN1
SCHEMBL3063804 0.82 VNN1 (0.40) BCL2A1ALDH1A1POLBRIPK1PDK1
SCHEMBL3064331 0.82 CACNA1H (0.45) BCL2A1POLBRIPK1MEN1KMT2A
SCHEMBL3066257 0.81 RIPK1 (0.39) BCL2A1ALDH1A1POLBRIPK1PDK1
SCHEMBL8168504 0.81 HCAR3 (0.41) BCL2A1ALDH1A1POLBRIPK1PDK1
SCHEMBL3058152 0.79 CYP11B1 (0.43) POLBKCNQ3KCNQ2PDK1
SCHEMBL3063912 0.79 CACNA1H (0.46) ALDH1A1POLBKCNQ3KCNQ2
SCHEMBL3061759 0.79 TRPV1 (0.41) BCL2A1POLBRIPK1MEN1KMT2A

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 6 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

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 957/4885POLB 4856/4885

“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.