SCHEMBL1643367

SCHEMBL1643367

Cc1cc(F)c([C@@H](C)NC(=O)c2ccc3nc(N4CCCCC4)ccc3c2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
TP53 P04637 5/20 0.43
HDAC3 O15379 3/20 0.43
HDAC2 Q92769 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAP3K5 Q99683 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
MCHR1 Q99705 3/20 0.41
KDM4E B2RXH2 2/20 0.41
STK17A Q9UEE5 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39

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
SCHEMBL1645086 0.99 HDAC3 (0.44) MAPTTP53HDAC3HDAC2SMN1; SMN2
SCHEMBL1645116 0.91 MAP3K5 (0.44) MAPTTP53HDAC3HDAC2SMN1; SMN2
SCHEMBL1645140 0.91 PTGER4 (0.44) MAPTTP53HDAC3HDAC2SMN1; SMN2
SCHEMBL1644375 0.89 HDAC3 (0.43) MAPTTP53HDAC3HDAC2SMN1; SMN2
SCHEMBL1284412 0.89 HDAC3 (0.40) MAPTTP53HDAC3HDAC2SMN1; SMN2
SCHEMBL1285679 0.89 HDAC3 (0.40) MAPTTP53HDAC3HDAC2SMN1; SMN2
SCHEMBL1645194 0.89 HDAC3 (0.41) MAPTTP53HDAC3HDAC2SMN1; SMN2
SCHEMBL1644203 0.88 HRH3 (0.42) HDAC3HDAC2SMN1; SMN2HRH3MCHR1
SCHEMBL1285305 0.88 HDAC3 (0.41) MAPTTP53HDAC3HDAC2SMN1; SMN2
SCHEMBL1285304 0.88 HDAC3 (0.41) MAPTTP53HDAC3HDAC2SMN1; SMN2

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 MAPT 3251/4885TP53 3973/4885HDAC3 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.