SCHEMBL1285103

SCHEMBL1285103

Cc1cc(C(C)NC(=O)c2ccc3nc(N4CCOCC4)ccc3c2)c(F)cc1NS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.42
MAP3K5 Q99683 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC2 Q92769 3/20 0.39
SHMT2 P34897 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PIK3CB P42338 2/20 0.38
RAF1 P04049 1/20 0.38
GBA1 P04062 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
UBE2N P61088 1/20 0.37
PIK3CA P42336 1/20 0.37
LMNA P02545 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL1285100 1.00 BRAF (0.42) BRAFMAP3K5HDAC3HDAC2SHMT2
SCHEMBL1285305 0.93 HDAC3 (0.41) BRAFMAP3K5HDAC3HDAC2KDM4E
SCHEMBL1285304 0.93 HDAC3 (0.41) BRAFMAP3K5HDAC3HDAC2KDM4E
SCHEMBL1284412 0.92 HDAC3 (0.40) MAP3K5HDAC3HDAC2KDM4ETRPV1
SCHEMBL1285679 0.92 HDAC3 (0.40) MAP3K5HDAC3HDAC2KDM4ETRPV1
SCHEMBL1644317 0.91 BRAF (0.41) BRAFHDAC3HDAC2ALDH1A1KDM4E
SCHEMBL1646258 0.91 HDAC3 (0.50) HDAC3HDAC2ALDH1A1KDM4ELMNA
SCHEMBL1285568 0.91 PTGER4 (0.39) BRAFHDAC3HDAC2PIK3CA
SCHEMBL1285566 0.91 PTGER4 (0.39) BRAFHDAC3HDAC2PIK3CA
SCHEMBL1284636 0.90 HDAC3 (0.42) BRAFHDAC3HDAC2TRPV1

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 BRAF 2721/4885MAP3K5 1499/4885HDAC3 239/4885

“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.