SCHEMBL5577600

SCHEMBL5577600

CN(C)c1ccc(/C=C/CN2CCN(c3cccc(CNC(=O)c4ccccc4)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
NSD2 O96028 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46

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
SCHEMBL5577601 1.00 KDM4E (0.48) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL5577265 0.93 ALDH1A1 (0.50) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL5577263 0.93 ALDH1A1 (0.50) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL5577333 0.92 HSD17B10 (0.48) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL5577327 0.92 DRD2 (0.47) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL5577429 0.92 DRD2 (0.46) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL5577430 0.92 DRD2 (0.46) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL5577331 0.92 HSD17B10 (0.48) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL5577330 0.92 DRD2 (0.47) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL5577368 0.91 HDAC1 (0.44) KDM4EALDH1A1MAPTMAPK1HSD17B10

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 1147/4885MAPT 449/4885

“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.