SCHEMBL976000

SCHEMBL976000

COC(=O)C(C)(c1ccccc1[N+](=O)[O-])C(O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.64
ALDH1A1 P00352 6/20 0.45
MAPT P10636 1/20 0.41
GLA P06280 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
THRB P10828 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
SCHEMBL4009144 0.79 NPSR1 (0.77) NPSR1ALDH1A1MAPTHTTPOLB
SCHEMBL975998 0.77 NPSR1 (0.79) NPSR1ALDH1A1MAPTGLAHTT
SCHEMBL4408532 0.77 NPSR1 (0.74) NPSR1ALDH1A1MAPTHTTPOLB
SCHEMBL30408092 0.76 NPSR1 (0.78) NPSR1ALDH1A1MAPTHTTPOLB
SCHEMBL9283221 0.76 NPSR1 (0.72) NPSR1ALDH1A1MAPTHTTPOLB
SCHEMBL4410680 0.73 NPSR1 (0.68) NPSR1ALDH1A1MAPTHTTPOLB
Hexane SCHEMBL8305527 0.72 NPSR1 (0.66) NPSR1ALDH1A1MAPTHTTPOLB
SCHEMBL842749 0.71 ALDH1A1 (0.58) NPSR1ALDH1A1MAPTHTTTDP1
SCHEMBL13681117 0.71 NPSR1 (0.64) NPSR1ALDH1A1MAPTHTTPOLB
SCHEMBL30409337 0.70 NPSR1 (0.59) NPSR1ALDH1A1MAPTHTTRAB9A

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
US-7872146-B2 Process for the preparation of a carboxamide derivative BAYER CROPSCIENCE AG (DE) 2011-01-18 US disclosed
EP-1881963-B1 PROCESS FOR THE PREPARATION OF A CARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-07-14 EP disclosed
US-20090062552-A1 PROCESS FOR THE PREPARATION OF A CARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2009-03-05 US disclosed
EP-1881963-A1 PROCESS FOR THE PREPARATION OF A CARBOXAMIDE DERIVATIVE Bayer CropScience S.A. (FR) 2008-01-30 EP disclosed
WO-2006120031-A1 PROCESS FOR THE PREPARATION OF A CARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE S.A. (FR) 2006-11-16 WO disclosed
EP-1721899-A1 Process for the preparation of a carboxamide derivative Bayer CropScience S.A. (FR) 2006-11-15 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 (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-20090062552-A1 PROCESS FOR THE PREPARATION OF A CARBOXAMIDE DERIVATIVE CPS1, SDHA, CS NPSR1 1789/4885ALDH1A1 284/4885MAPT 2403/4885

“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.