SCHEMBL5577632

SCHEMBL5577632

COc1ccc(CN2CCN(c3cccc(CNC(=O)c4ccccc4C)c3)CC2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
GFER P55789 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
PPARG P37231 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CHRM3 P20309 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5577308 0.92 MEN1 (0.52) KDM4EALDH1A1GAAGFERTDP1
SCHEMBL5577680 0.89 KDM4E (0.57) KDM4EALDH1A1GAAGFERTDP1
SCHEMBL5577814 0.88 HSD17B10 (0.55) KDM4EALDH1A1GFERMEN1KMT2A
SCHEMBL5577692 0.88 CHRM3 (0.56) KDM4EALDH1A1GAAGFERTDP1
SCHEMBL5577496 0.87 KMT2A (0.57) KDM4EALDH1A1GAAGFERTDP1
SCHEMBL5577725 0.86 MEN1 (0.52) KDM4EALDH1A1GAAGFERTDP1
SCHEMBL5577506 0.85 CHRM3 (0.54) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL5577269 0.84 ALDH1A1 (0.53) KDM4EALDH1A1GAAGFERTDP1
SCHEMBL5577821 0.83 POLB (0.55) GFERCHRM3MAPTTSHRMAPK1
SCHEMBL5577577 0.83 CHRM3 (0.49) KDM4EALDH1A1GAAGFERTDP1

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 1147/4885GAA 3806/4885

“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.