SCHEMBL5148644

SCHEMBL5148644

CC(C)(C)OC(=O)NCc1cnn(CCO)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
P2RX7 Q99572 1/20 0.37
MAPKAPK2 P49137 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
NAMPT P43490 2/20 0.35
KDM4A O75164 1/20 0.35
GFER P55789 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNA5 P22460 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5148588 0.90 KDM4E (0.41) KDM4ELMNAPOLBMAPK1ATM
SCHEMBL5492776 0.79 ITGA4 (0.36) KDM4ELMNAITGA4ITGB7TDP1
SCHEMBL5495034 0.77 CA1 (0.40) KDM4EITGA4ITGB7TDP1POLB
SCHEMBL30707274 0.77 HDAC10 (0.38) KDM4ELMNAMAPKAPK2CA12CA1
SCHEMBL6066213 0.74 TDP1 (0.36) KDM4ELMNAITGA4ITGB7TDP1
SCHEMBL5151740 0.71 NQO2 (0.39) LMNACA12CA1CA2CA9
SCHEMBL5494802 0.71 ITGA4 (0.36) ITGA4ITGB7MAPKAPK2
SCHEMBL5494797 0.71 ITGA4 (0.36) ITGA4ITGB7MAPKAPK2
SCHEMBL29946217 0.69 NAMPT (0.51) KDM4ENAMPTKDM4AL3MBTL1KCNA5
SCHEMBL17299753 0.69 MAPKAPK2 (0.44) MAPKAPK2KDM4AL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179801-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-02-20 US disclosed
EP-1392704-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2006-02-22 EP disclosed
US-20040248875-A1 Cephem compounds ASTELLAS PHARMA INC. (JP) 2004-12-09 US disclosed
CN-1522259-A Cephem compounds ����ҩƷ��ҵ��ʽ���� 2004-08-18 CN disclosed
EP-1392704-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-03 EP disclosed
WO-2002090364-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO 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-20040248875-A1 Cephem compounds CEP170, C1S, SLC7A1 KDM4E 2903/4885LMNA 2179/4885ITGA4 3195/4885

“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.