SCHEMBL1645669

SCHEMBL1645669

CC(=O)c1cnc2cc(C(F)(F)F)c(F)cc2c1O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NSD2 O96028 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MCL1 Q07820 1/20 0.36
MELK Q14680 11/20 0.35
THRB P10828 1/20 0.34
ASPH Q12797 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
KCNE1 P15382 2/20 0.33
KCNQ1 P51787 2/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL1644208 0.85 KCNQ3 (0.38) KIF11KMT2AMEN1MAPTMELK
SCHEMBL1643933 0.85 MELK (0.38) KMT2AKDM4EMEN1NSD2POLB
SCHEMBL4785818 0.82 MEN1 (0.50) KMT2AKDM4EMEN1MAPTTHRB
SCHEMBL13544869 0.76 PARP1 (0.44) KMT2AKDM4EMEN1NSD2POLB
SCHEMBL6197961 0.74 KDM4E (0.43) KMT2AKDM4EMEN1MAPTMCL1
SCHEMBL11709391 0.74 TSHR (0.44) KMT2AKDM4EMEN1NSD2POLB
SCHEMBL1645063 0.71 KIF11 (0.46) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL11059686 0.71 KDM4E (0.38) KMT2AKDM4EMEN1MELKASPH
SCHEMBL1285850 0.71 KMT2A (0.49) KMT2AKDM4EMEN1MAPTTHRB
SCHEMBL1643326 0.70 TSHR (0.36) KMT2AKDM4EMEN1POLBMAPT

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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 KIF11 4292/4885KMT2A 4280/4885KDM4E 4075/4885

“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.