SCHEMBL5577496

SCHEMBL5577496

COc1ccc(CN2CCN(c3cccc(CNC(=O)c4ccc(C)cc4)c3)CC2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MMP13 P45452 1/20 0.56
GFER P55789 1/20 0.53
CHRM3 P20309 1/20 0.51
KDM4E B2RXH2 4/20 0.51
DRD2 P14416 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
ROCK2 O75116 1/20 0.49

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) KMT2AMEN1MMP13GFERCHRM3
SCHEMBL5577680 0.93 KDM4E (0.57) KMT2AMEN1GFERKDM4EDRD2
SCHEMBL5577269 0.92 ALDH1A1 (0.53) KMT2AMEN1GFERCHRM3KDM4E
SCHEMBL5577725 0.92 MEN1 (0.52) KMT2AMEN1MMP13GFERCHRM3
SCHEMBL5577577 0.91 CHRM3 (0.49) KMT2AMEN1MMP13GFERCHRM3
SCHEMBL5577308 0.89 MEN1 (0.52) KMT2AMEN1GFERCHRM3KDM4E
SCHEMBL5577777 0.88 HSD17B10 (0.61) KMT2AMEN1MMP13GFERCHRM3
SCHEMBL5577632 0.87 KDM4E (0.52) KMT2AMEN1GFERCHRM3KDM4E
SCHEMBL5577882 0.85 SMN1; SMN2 (0.59) KMT2ACHRM3DRD2ALDH1A1GAA
SCHEMBL5577449 0.83 CHRM3 (0.61) KMT2AMEN1GFERCHRM3KDM4E

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 KMT2A 3527/4885MEN1 748/4885MMP13 1037/4885

“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.