SCHEMBL768524

SCHEMBL768524

CNCCCN(C)C(=O)c1ccc2nc(NCCCCCC(=O)N(C)CCN3CCC(c4cccc(-c5ccccc5)c4NC(=O)O)CC3)sc2c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.35
CASR P41180 4/20 0.35
ABL1 P00519 6/20 0.34
CHRM2 P08172 1/20 0.34
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
MCHR1 Q99705 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
LCK P06239 1/20 0.32

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
SCHEMBL768889 0.86 CHRM2 (0.39) HDAC6CHRM2CARM1PRMT6PRMT8
SCHEMBL769264 0.86 CHRM2 (0.39) HDAC6CHRM2CARM1PRMT6PRMT8
SCHEMBL768523 0.86 MCHR1 (0.37) HDAC6CASRABL1CHRM2MCHR1
SCHEMBL768358 0.86 HDAC6 (0.38) HDAC6CHRM2CARM1PRMT6PRMT8
SCHEMBL380251 0.85 CHRM2 (0.51) CHRM2
SCHEMBL768708 0.84 CHRM2 (0.39) HDAC6CHRM2CARM1PRMT6PRMT8
SCHEMBL768103 0.83 HRH3 (0.41) CHRM2CARM1PRMT6
SCHEMBL768439 0.83 CHRM2 (0.39) HDAC6CHRM2MCHR1
SCHEMBL768363 0.82 HRH3 (0.33) CHRM2CARM1PRMT6PRMT8MCHR1
SCHEMBL769370 0.81 HDAC6 (0.33) HDAC6CHRM2MCHR1

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-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 HDAC6 407/4885CASR 737/4885ABL1 3609/4885

“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.