SCHEMBL976018

SCHEMBL976018

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
CYP1A2 P05177 3/20 0.46
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KCNH2 Q12809 2/20 0.39
ABCC4 O15439 1/20 0.39
CACNA1F O60840 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
ABCB1 P08183 1/20 0.39

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
SCHEMBL30444123 0.82 ALDH1A1 (0.70) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL8909475 0.82 ALDH1A1 (0.70) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL15539874 0.82 ALDH1A1 (0.70) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL20537468 0.82 ALDH1A1 (0.70) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL15540195 0.82 ALDH1A1 (0.70) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL29418871 0.82 ALDH1A1 (0.70) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL2353735 0.82 ALDH1A1 (0.74) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL38657948 0.82 ALDH1A1 (0.74) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL2634390 0.82 ALDH1A1 (0.74) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL12788041 0.80 ALDH1A1 (1.00) ALDH1A1CYP1A2NPSR1MAPTTSHR

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 ALDH1A1 284/4885CYP1A2 66/4885NPSR1 1789/4885

“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.