SCHEMBL2852593

SCHEMBL2852593

CC[C@@H]1[C@H](NC(=O)OC(C)(C)C)CN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR5 P51681 1/20 0.41
MAOB P27338 2/20 0.41
KDM1A O60341 2/20 0.41
CTSK P43235 3/20 0.40
CTSS P25774 1/20 0.40
KCNA3 P22001 1/20 0.39
MAOA P21397 1/20 0.38
EPHX2 P34913 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
ATM Q13315 1/20 0.37
DRD2 P14416 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL2848581 1.00 KMT2A (0.42) KMT2AL3MBTL1CCR5MAOBKDM1A
SCHEMBL2848577 1.00 KMT2A (0.42) KMT2AL3MBTL1CCR5MAOBKDM1A
SCHEMBL31368071 0.84 KDM1A (0.43) KMT2AL3MBTL1CCR5MAOBKDM1A
SCHEMBL31368119 0.84 KDM1A (0.43) KMT2AL3MBTL1CCR5MAOBKDM1A
SCHEMBL2793927 0.75 KMT2A (0.49) KMT2AL3MBTL1CCR5MAOBKDM1A
SCHEMBL3024605 0.72 NAMPT (0.50) KMT2ACTSKCTSSCKS1BSKP1
SCHEMBL3548424 0.72 MEN1 (0.39) KMT2ACCR5CTSKCTSS
SCHEMBL3548422 0.72 MEN1 (0.39) KMT2ACCR5CTSKCTSS
SCHEMBL3548427 0.72 MEN1 (0.39) KMT2ACCR5CTSKCTSS
SCHEMBL1094296 0.72 KMT2A (0.44) KMT2AL3MBTL1CCR5MAOBKDM1A

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
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 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 (2 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A KMT2A 847/4885L3MBTL1 2247/4885CCR5 3429/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A KMT2A 1335/4885L3MBTL1 3003/4885CCR5 2644/4885

“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.