SCHEMBL842282

SCHEMBL842282

O=[N+]([O-])c1ccc(Oc2ccc(CO)cc2)nc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.70
GAA P10253 2/20 0.70
HSPB1 P04792 2/20 0.68
MAPT P10636 8/20 0.61
NPSR1 Q6W5P4 1/20 0.61
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 6/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 3/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 1/20 0.46
PPARG P37231 1/20 0.43
KDM4E B2RXH2 3/20 0.42

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
SCHEMBL3133376 0.91 GAA (0.62) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL3143134 0.87 GAA (0.64) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL20932230 0.86 HSPB1 (0.82) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL3139649 0.86 GAA (0.70) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL3143148 0.86 L3MBTL1 (0.70) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL7807343 0.84 L3MBTL1 (0.68) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL29351869 0.84 HSPB1 (0.55) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL22530112 0.84 HSPB1 (0.55) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL10466511 0.84 HSPB1 (0.73) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL3967877 0.83 GAA (0.67) L3MBTL1GAAHSPB1MAPTNPSR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1790637-B1 Derivatives of N-4-piperidyl urea and medicaments containing them as active ingredient ONO PHARMACEUTICAL CO (JP) 2014-01-29 EP disclosed
US-8604207-B2 Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-10 US disclosed
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-04 US disclosed
US-8410276-B2 Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-02 US disclosed
EP-2546234-A1 Nitrogeneous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-01-16 EP disclosed
US-8143404-B2 N-heterocycle urea compounds such as 5-([(butyl{1-[(2-methyl-6-{4-[(methylsulfonyl)amino]phenoxy)-3-pyridinyl)methyl]-4-piperidinyl}amino)carbonyl]amino)-2,4-difluorobenzamide; chemokine receptor CCR5 antagonists for various inflammatory diseases, autoimmune diseases, infectious diseases ONO PHARMACEUTICAL CO., LTD (JP) 2012-03-27 US disclosed
US-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US disclosed
US-20080057074-A1 Nitrogenous Heterocylic Derivative and Medicine Containing the Same as an Active Ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-03-06 US disclosed
EP-1790637-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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 (3 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-20080057074-A1 Nitrogenous Heterocylic Derivative and Medicine Containing the Same as an Active Ingredient CXCR3, CCR5, CCR1 L3MBTL1 2776/4885GAA 4444/4885HSPB1 660/4885
US-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 L3MBTL1 2951/4885GAA 4350/4885HSPB1 906/4885
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 L3MBTL1 2951/4885GAA 4350/4885HSPB1 906/4885

“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.