SCHEMBL1644335

SCHEMBL1644335

Cc1cc([C@@H](C)NC(=O)c2ccc3nc(N4CCC(O)CC4)ccc3c2)c(F)cc1NS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.39
HDAC2 Q92769 3/20 0.39
HRH3 Q9Y5N1 2/20 0.39
PTGER4 P35408 2/20 0.38
FGFR1 P11362 1/20 0.38
BRAF P15056 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TRPV1 Q8NER1 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ACACB O00763 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
SCHEMBL1285099 0.92 TRPV1 (0.40) HDAC3HDAC2HRH3BRAFMEN1
SCHEMBL1285102 0.92 TRPV1 (0.40) HDAC3HDAC2HRH3BRAFMEN1
SCHEMBL1285304 0.92 HDAC3 (0.41) HDAC3HDAC2HRH3BRAFSMN1; SMN2
SCHEMBL1285305 0.92 HDAC3 (0.41) HDAC3HDAC2HRH3BRAFSMN1; SMN2
SCHEMBL1285342 0.92 PTGER4 (0.40) HDAC3HDAC2HRH3PTGER4BRAF
SCHEMBL1285679 0.91 HDAC3 (0.40) HDAC3HDAC2HRH3TRPV1SMN1; SMN2
SCHEMBL1284412 0.91 HDAC3 (0.40) HDAC3HDAC2HRH3TRPV1SMN1; SMN2
SCHEMBL1644317 0.91 BRAF (0.41) HDAC3HDAC2HRH3BRAFMEN1
SCHEMBL1285566 0.90 PTGER4 (0.39) HDAC3HDAC2HRH3PTGER4BRAF
SCHEMBL1285568 0.90 PTGER4 (0.39) HDAC3HDAC2HRH3PTGER4BRAF

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 HDAC3 239/4885HDAC2 453/4885HRH3 556/4885

“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.