SCHEMBL2823922

SCHEMBL2823922

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
AR P10275 1/20 0.46
PELP1 Q8IZL8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 3/20 0.45
MYC P01106 1/20 0.44
MAX P61244 1/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL2823920 1.00 TAS1R3 (0.47) TAS1R3TAS1R1ARPELP1ALDH1A1
SCHEMBL2823134 0.87 TAS1R3 (0.57) TAS1R3TAS1R1ALDH1A1TSHRGAA
SCHEMBL2823133 0.87 TAS1R3 (0.57) TAS1R3TAS1R1ALDH1A1TSHRGAA
SCHEMBL2823137 0.81 TAS1R3 (0.53) TAS1R3TAS1R1ARPELP1ALDH1A1
SCHEMBL2823132 0.81 TAS1R3 (0.53) TAS1R3TAS1R1ARPELP1ALDH1A1
SCHEMBL15880256 0.81 ALDH1A1 (0.56) TAS1R3TAS1R1ARPELP1ALDH1A1
SCHEMBL15880254 0.81 ALDH1A1 (0.56) TAS1R3TAS1R1ARPELP1ALDH1A1
SCHEMBL2821802 0.80 RAB9A (0.52) TAS1R3TAS1R1ALDH1A1GAAHPGD
SCHEMBL2821798 0.80 RAB9A (0.52) TAS1R3TAS1R1ALDH1A1GAAHPGD
SCHEMBL15880646 0.79 HTT (0.52) TAS1R3TAS1R1ARPELP1ALDH1A1

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 TAS1R3 3527/4885TAS1R1 3358/4885AR 2464/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A TAS1R3 3608/4885TAS1R1 2574/4885AR 3313/4885

“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.