SCHEMBL1643933

SCHEMBL1643933

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MELK Q14680 13/20 0.38
MAPT P10636 2/20 0.36
COMT P21964 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NSD2 O96028 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
GRM4 Q14833 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1643326 0.85 TSHR (0.36) MELKMAPTLMNAKDM4EMEN1
SCHEMBL1645669 0.85 KIF11 (0.38) MELKMAPTKDM4EMEN1NSD2
SCHEMBL1688423 0.83 PDE5A (0.46) MAPTKDM4EMEN1KMT2ANPSR1
SCHEMBL11704322 0.77 MELK (0.41) MELKMAPTKDM4EMEN1NSD2
SCHEMBL25208113 0.76 TRPV4 (0.34) MELKMAPTCOMTKMT2A
SCHEMBL30351154 0.76 TRPV4 (0.34) MELKMAPTCOMTKMT2A
SCHEMBL1644208 0.76 KCNQ3 (0.38) MELKMAPTMEN1KMT2AGRM4
SCHEMBL13544869 0.75 PARP1 (0.44) MAPTKDM4EMEN1NSD2POLB
SCHEMBL23575518 0.74 KMT2A (0.46) MAPTKDM4EMEN1KMT2ANPSR1
SCHEMBL28524305 0.73 ALDH1A1 (0.49) MAPTLMNAKDM4EMEN1KMT2A

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 MELK 4185/4885MAPT 3251/4885COMT 4747/4885

“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.