SCHEMBL3429467

SCHEMBL3429467

CC(C)(C)OC(=O)N(CC(=O)O)Cc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SNCA P37840 4/20 0.42
NR1D1 P20393 1/20 0.39
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3403008 0.89 SNCA (0.43) SNCANR1D1MAPTALDH1A1
SCHEMBL3765002 0.85 SNCA (0.46) SNCAALDH1A1
SCHEMBL27848293 0.85 SNCA (0.41) SNCANR1D1MAPTALDH1A1
SCHEMBL3402058 0.81 SLC6A4 (0.37)
SCHEMBL3815723 0.78 MAPT (0.39) MAPTALDH1A1
SCHEMBL12330698 0.77 ALDH1A1 (0.42) NR1D1CYP1A2ALDH1A1
SCHEMBL5191594 0.76 SNCA (0.49) SNCANR1D1MAPTALDH1A1
SCHEMBL16397397 0.76 MAPT (0.44) NR1D1MAPTCYP1A2ALDH1A1
SCHEMBL2897902 0.76 HDAC3 (0.46) NR1D1MAPTALDH1A1
SCHEMBL17957736 0.75 VCAM1 (0.46) MAPTCYP1A2ALDH1A1

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-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
CN-101925586-A Novel heterocyclic compounds PANACEA BIOTEC LTD 2010-12-22 CN disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
EP-2250157-A1 NOVEL HETEROCYCLIC COMPOUNDS Panacea Biotec Limited (IN) 2010-11-17 EP disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 WO 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 (1 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 SNCA 4004/4885NR1D1 743/4885MAPT 379/4885

“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.