SCHEMBL2746002

SCHEMBL2746002

C[C](C(N)=O)C(=O)NCCc1ccc(O)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
HSD17B10 Q99714 3/20 0.68
HIF1A Q16665 2/20 0.68
KDM4E B2RXH2 2/20 0.68
ALDH1A1 P00352 2/20 0.68
LMNA P02545 2/20 0.68
HPGD P15428 2/20 0.68
BLM P54132 2/20 0.68
PTGS1 P23219 1/20 0.68
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
THPO P40225 1/20 0.53
TRPV1 Q8NER1 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GMNN O75496 1/20 0.51

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
SCHEMBL7361910 0.88 MAPT (0.66) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL2746659 0.85 MTNR1A (0.61) ALDH1A1LMNATSHRMAPK1KMT2A
SCHEMBL109163 0.84 MAPT (0.74) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL2745221 0.83 KDM4E (0.65) MAPTKDM4ECYP1A2GFERSMN1; SMN2
SCHEMBL30446328 0.83 MAPT (0.73) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL400288 0.83 MAPT (0.73) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL328568 0.81 MAPT (1.00) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL5500828 0.81 MAPT (0.70) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL30616852 0.81 MAPT (1.00) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL2745782 0.80 ALDH1A1 (0.64) MAPTALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 MAPT 2374/4885HSD17B10 2220/4885HIF1A 3486/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 MAPT 4270/4885HSD17B10 1887/4885HIF1A 3381/4885

“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.