SCHEMBL2821798

SCHEMBL2821798

COC(=O)C(NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HTT P42858 1/20 0.50
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL2821802 1.00 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL29987328 0.93 NPC1 (0.46) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL1761789 0.86 TAS1R3 (0.54) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL31530471 0.85 RAB9A (0.57) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL15043898 0.84 KMT2A (0.53) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4488971 0.82 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL10201893 0.81 MGLL (0.49) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL2823134 0.81 TAS1R3 (0.57) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL2823133 0.81 TAS1R3 (0.57) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL17403882 0.81 NPC1 (0.45) NPC1SMN1; SMN2MAPTMEN1KMT2A

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 RAB9A 2042/4885NPC1 1573/4885SMN1; SMN2 4001/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A RAB9A 2487/4885NPC1 630/4885SMN1; SMN2 3604/4885

“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.