SCHEMBL2823396

SCHEMBL2823396

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.51
TAS1R3 Q7RTX0 5/20 0.51
TAS1R1 Q7RTX1 5/20 0.51
RAB9A P51151 3/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
ALPL P05186 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL2823393 1.00 MAPT (0.52) MAPTSMN1; SMN2TSHRTAS1R3TAS1R1
SCHEMBL27917044 0.88 TSHR (0.57) MAPTSMN1; SMN2TSHRRAB9APOLB
SCHEMBL27917042 0.88 TSHR (0.57) MAPTSMN1; SMN2TSHRRAB9APOLB
SCHEMBL2823137 0.87 TAS1R3 (0.53) TSHRTAS1R3TAS1R1RAB9APOLB
SCHEMBL2823132 0.87 TAS1R3 (0.53) TSHRTAS1R3TAS1R1RAB9APOLB
SCHEMBL7860605 0.84 SMN1; SMN2 (0.49) MAPTSMN1; SMN2TSHRTAS1R3TAS1R1
SCHEMBL2823133 0.81 TAS1R3 (0.57) MAPTSMN1; SMN2TSHRTAS1R3TAS1R1
SCHEMBL2823134 0.81 TAS1R3 (0.57) MAPTSMN1; SMN2TSHRTAS1R3TAS1R1
SCHEMBL7167160 0.78 L3MBTL1 (0.53) MAPTSMN1; SMN2TSHRRAB9APOLB
SCHEMBL7167161 0.78 L3MBTL1 (0.53) MAPTSMN1; SMN2TSHRRAB9APOLB

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 MAPT 1455/4885SMN1; SMN2 4001/4885TSHR 4153/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A MAPT 1979/4885SMN1; SMN2 3604/4885TSHR 4736/4885

“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.