SCHEMBL5577306

SCHEMBL5577306

COc1ccc(C(=O)NCc2cccc(C3CCN(CC(C)CC(C)c4ccccc4)CC3)c2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.43
CHRM4 P08173 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 2/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL5577776 0.80 MAPT (0.55) MAPTHTTCHRM4MEN1KMT2A
SCHEMBL5577286 0.79 ALDH1A1 (0.51) MAPTALDH1A1HPGDGAAPKM
SCHEMBL5577514 0.79 CCR5 (0.48) ALDH1A1HTTDRD2
SCHEMBL5577259 0.77 MAPT (0.45) MAPTALDH1A1HPGDGAAPKM
SCHEMBL5577667 0.71 PTBP1 (0.51) MAPTALDH1A1HPGDGAAPKM
SCHEMBL5577414 0.69 CHRM3 (0.48) ALDH1A1GAACHRM4MEN1KMT2A
SCHEMBL5577786 0.68 MEN1 (0.50) ALDH1A1CHRM4MEN1KMT2ADRD2
SCHEMBL5577658 0.67 CHRM3 (0.47) ALDH1A1GAATSHRCHRM4MEN1
SCHEMBL5577499 0.67 CHRM3 (0.58) TSHRCHRM4MEN1KMT2ADRD2
SCHEMBL5577355 0.67 CCR5 (0.54) ALDH1A1GAATSHRCHRM4MEN1

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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C MAPT 449/4885ALDH1A1 1147/4885HPGD 855/4885

“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.