SCHEMBL1646258

SCHEMBL1646258

Cc1cc([C@@H](C)NC(=O)c2ccc3nc(N4CCNCC4)ccc3c2)c(F)cc1NS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.50
HDAC2 Q92769 5/20 0.50
HDAC1 Q13547 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CYP1A2 P05177 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
LMNA P02545 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL1285305 0.93 HDAC3 (0.41) HDAC3HDAC2HRH3KDM4E
SCHEMBL1285304 0.93 HDAC3 (0.41) HDAC3HDAC2HRH3KDM4E
SCHEMBL1284412 0.92 HDAC3 (0.40) HDAC3HDAC2HRH3KDM4E
SCHEMBL1285679 0.92 HDAC3 (0.40) HDAC3HDAC2HRH3KDM4E
SCHEMBL1644317 0.91 BRAF (0.41) HDAC3HDAC2ALDH1A1CYP3A4CYP1A2
SCHEMBL1285566 0.91 PTGER4 (0.39) HDAC3HDAC2HDAC1NCOR2HRH3
SCHEMBL1285103 0.91 BRAF (0.42) HDAC3HDAC2ALDH1A1LMNAKDM4E
SCHEMBL1285568 0.91 PTGER4 (0.39) HDAC3HDAC2HDAC1NCOR2HRH3
SCHEMBL1285100 0.91 BRAF (0.42) HDAC3HDAC2ALDH1A1LMNAKDM4E
SCHEMBL1284636 0.90 HDAC3 (0.42) HDAC3HDAC2HDAC1NCOR2KCNH2

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 453/4885HDAC1 399/4885

“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.