SCHEMBL5577680

SCHEMBL5577680

COc1ccc(CN2CCN(c3cccc(CNC(=O)c4ccccc4)c3)CC2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
GFER P55789 1/20 0.57
GAA P10253 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
DRD4 P21917 2/20 0.54
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL5577692 0.95 CHRM3 (0.56) KDM4EALDH1A1GFERGAATDP1
SCHEMBL5577496 0.93 KMT2A (0.57) KDM4EALDH1A1GFERGAATDP1
SCHEMBL5577725 0.92 MEN1 (0.52) KDM4EALDH1A1GFERGAATDP1
SCHEMBL5577269 0.92 ALDH1A1 (0.53) KDM4EALDH1A1GFERGAATDP1
SCHEMBL5577577 0.91 CHRM3 (0.49) KDM4EALDH1A1GFERGAATDP1
SCHEMBL5577632 0.89 KDM4E (0.52) KDM4EALDH1A1GFERGAATDP1
SCHEMBL5577492 0.88 HSD17B10 (0.66) KDM4EALDH1A1GFERDRD4DRD2
SCHEMBL5577308 0.85 MEN1 (0.52) KDM4EALDH1A1GFERGAATDP1
SCHEMBL5577312 0.84 SMN1; SMN2 (0.63) KDM4EALDH1A1GFERDRD2DRD3
SCHEMBL5577449 0.83 CHRM3 (0.61) KDM4EALDH1A1GFERDRD2DRD3

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 KDM4E 4213/4885ALDH1A1 1147/4885GFER 2544/4885

“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.