SCHEMBL974764

SCHEMBL974764

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 2/20 0.53
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GPR35 Q9HC97 1/20 0.41

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
SCHEMBL27474823 0.93 ALDH1A1 (0.58) ALDH1A1CYP1A2TSHRTDP1MAPT
SCHEMBL2431836 0.84 CYP1A2 (0.63) ALDH1A1CYP1A2TSHRTDP1MAPT
SCHEMBL2431833 0.84 CYP1A2 (0.63) ALDH1A1CYP1A2TSHRTDP1MAPT
SCHEMBL3003307 0.84 ALDH1A1 (0.57) ALDH1A1CYP1A2TSHRTDP1MAPT
SCHEMBL29688451 0.83 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL1305446 0.83 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRTDP1HSD17B10
SCHEMBL7733065 0.83 CYP1A2 (0.57) ALDH1A1CYP1A2TSHRTDP1MAPT
SCHEMBL2413159 0.83 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRTDP1NPSR1
SCHEMBL28337091 0.80 CYP1A2 (0.54) ALDH1A1CYP1A2TSHRTDP1MAPT
SCHEMBL38657948 0.80 ALDH1A1 (0.74) ALDH1A1CYP1A2TSHRTDP1MAPT

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 66/4885TSHR 2544/4885

“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.