SCHEMBL2854794

SCHEMBL2854794

COC(=O)c1ccc(F)c(N2CC[C@@H](N)[C@@H](OC)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RBP4 P02753 1/20 0.42
TTR P02766 1/20 0.42
OPRK1 P41145 1/20 0.41
PRKCA P17252 2/20 0.40
PRKCQ Q04759 2/20 0.40
DPP4 P27487 1/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
NOTUM Q6P988 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL2854791 1.00 KDM4E (0.47) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL16390929 1.00 KDM4E (0.47) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL6500337 0.83 KDM4E (0.56) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL2851597 0.80 ALDH1A1 (0.44) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL2851594 0.80 ALDH1A1 (0.44) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL6508563 0.79 KDM4E (0.54) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL2848417 0.79 GAA (0.46) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL2848416 0.79 GAA (0.46) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL2847412 0.78 KDM4E (0.38) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL2847413 0.78 KDM4E (0.38) KDM4EALDH1A1NPC1RAB9AMAPT

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 KDM4E 206/4885ALDH1A1 3596/4885NPC1 1573/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A KDM4E 211/4885ALDH1A1 1220/4885NPC1 630/4885

“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.