SCHEMBL2823133

SCHEMBL2823133

COC(=O)C(NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(C)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.51
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 2/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALPL P05186 1/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.45
KLF10 Q13118 1/20 0.45

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
SCHEMBL2823134 1.00 TAS1R3 (0.57) TAS1R3TAS1R1MAPTSMN1; SMN2TSHR
SCHEMBL2823922 0.87 TAS1R3 (0.47) TAS1R3TAS1R1MAPTTSHRPOLB
SCHEMBL2823920 0.87 TAS1R3 (0.47) TAS1R3TAS1R1MAPTTSHRPOLB
SCHEMBL2821802 0.81 RAB9A (0.52) TAS1R3TAS1R1MAPTSMN1; SMN2LMNA
SCHEMBL2821798 0.81 RAB9A (0.52) TAS1R3TAS1R1MAPTSMN1; SMN2LMNA
SCHEMBL2823396 0.81 MAPT (0.52) TAS1R3TAS1R1MAPTSMN1; SMN2TSHR
SCHEMBL2823393 0.81 MAPT (0.52) TAS1R3TAS1R1MAPTSMN1; SMN2TSHR
SCHEMBL15043898 0.79 KMT2A (0.53) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7860605 0.75 SMN1; SMN2 (0.49) TAS1R3TAS1R1MAPTSMN1; SMN2TSHR
SCHEMBL10604781 0.75 ALDH1A1 (0.61) MAPTSMN1; SMN2TSHRLMNAPOLB

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 7 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
CN-101959882-B Imidazole carbonyl compound DAIICHI SANKYO CO LTD 2013-09-11 CN 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 TAS1R3 3527/4885TAS1R1 3358/4885MAPT 1455/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A TAS1R3 3608/4885TAS1R1 2574/4885MAPT 1979/4885

“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.