SCHEMBL1644317

SCHEMBL1644317

Cc1cc([C@@H](C)NC(=O)c2ccc3nc(N4CCN(C)CC4)ccc3c2)c(F)cc1NS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC2 Q92769 3/20 0.40
HTR3A P46098 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
TP53 P04637 7/20 0.38
MAPT P10636 6/20 0.38
RAB9A P51151 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL1285304 0.94 HDAC3 (0.41) BRAFHDAC3HDAC2TP53MAPT
SCHEMBL1285305 0.94 HDAC3 (0.41) BRAFHDAC3HDAC2TP53MAPT
SCHEMBL1285679 0.93 HDAC3 (0.40) HDAC3HDAC2TP53MAPTHRH3
SCHEMBL1284412 0.93 HDAC3 (0.40) HDAC3HDAC2TP53MAPTHRH3
SCHEMBL1646258 0.91 HDAC3 (0.50) HDAC3HDAC2HTR3AHRH3LMNA
SCHEMBL1285100 0.91 BRAF (0.42) BRAFHDAC3HDAC2LMNAKDM4E
SCHEMBL1285103 0.91 BRAF (0.42) BRAFHDAC3HDAC2LMNAKDM4E
SCHEMBL1285568 0.91 PTGER4 (0.39) BRAFHDAC3HDAC2TP53HRH3
SCHEMBL1285566 0.91 PTGER4 (0.39) BRAFHDAC3HDAC2TP53HRH3
SCHEMBL1284636 0.91 HDAC3 (0.42) BRAFHDAC3HDAC2TP53MAPT

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 2 patents. 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
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 2721/4885HDAC3 239/4885HDAC2 453/4885

“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.