SCHEMBL5577259

SCHEMBL5577259

COc1ccc(C(=O)NCc2cccc(C3CCN(Cc4sccc4C)CC3)c2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
CHRM4 P08173 1/20 0.44
CHRM3 P20309 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
DRD2 P14416 3/20 0.42
DRD4 P21917 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 2/20 0.41

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 0.84 MAPT (0.55) MAPTCHRM4CHRM3HTTDRD2
SCHEMBL5577286 0.82 ALDH1A1 (0.51) MAPTCHRM4CHRM3ALDH1A1GAA
SCHEMBL5577768 0.79 CHRM3 (0.50) CHRM3ALDH1A1HPGDDRD2DRD4
SCHEMBL5577562 0.79 CYP19A1 (0.52) MAPTALDH1A1GAADRD2NPC1
SCHEMBL5577733 0.77 CHRM3 (0.52) CHRM4CHRM3
SCHEMBL5577306 0.77 MAPT (0.44) MAPTCHRM4CHRM3ALDH1A1GAA
SCHEMBL5577667 0.75 PTBP1 (0.51) MAPTALDH1A1GAAPKMHPGD
SCHEMBL5577414 0.75 CHRM3 (0.48) CHRM4CHRM3ALDH1A1GAADRD2
SCHEMBL5577786 0.74 MEN1 (0.50) CHRM4CHRM3ALDH1A1DRD2NPC1
SCHEMBL5577658 0.73 CHRM3 (0.47) CHRM4CHRM3ALDH1A1GAADRD2

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 449/4885CHRM4 3794/4885CHRM3 2099/4885

“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.