SCHEMBL5148546

SCHEMBL5148546

CCOC(=O)C=Cc1cnn2c1NCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.40
CDK8 P49336 5/20 0.40
CDK19 Q9BWU1 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
DPP4 P27487 2/20 0.35
TTR P02766 1/20 0.35
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ESR1 P03372 1/20 0.34
P2RY12 Q9H244 1/20 0.34
ACHE P22303 2/20 0.33

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
SCHEMBL5148542 1.00 CCNC (0.40) CCNCCDK8CDK19NPC1RAB9A
SCHEMBL18395054 0.76 LMNA (0.48) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL6541373 0.72 NPC1 (0.40) CCNCCDK8CDK19NPC1RAB9A
SCHEMBL6541371 0.72 NPC1 (0.40) CCNCCDK8CDK19NPC1RAB9A
SCHEMBL27632130 0.70 KDM4E (0.56) CCNCCDK8NPC1RAB9ACA12
SCHEMBL27632131 0.70 KDM4E (0.56) CCNCCDK8NPC1RAB9ACA12
SCHEMBL29174207 0.68 CCNC (0.49) CCNCCDK8NPC1RAB9ACA12
SCHEMBL38663038 0.67 NPC1 (0.56) CCNCCDK8NPC1RAB9ACA12
SCHEMBL29174208 0.65 CCNC (0.47) CCNCCDK8NPC1RAB9ACA12
SCHEMBL9869341 0.65 POLB (0.38) RAB9AALDH1A1KDM4EL3MBTL1

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 5 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
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 CCNC 1088/4885CDK8 3687/4885CDK19 1910/4885

“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.