SCHEMBL5111154

SCHEMBL5111154

CC(C)(C)OC(=O)NC(=O)CNc1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.39
GLA P06280 1/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
EGFR P00533 1/20 0.33
RAF1 P04049 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
AURKB Q96GD4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
GSTP1 P09211 1/20 0.32
GSTM2 P28161 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL18172308 0.86 GLA (0.41) AAK1GLAMAPTMAPK1ALDH1A1
SCHEMBL857380 0.83 AAK1 (0.42) AAK1MAPTMAPK1ALDH1A1POLB
SCHEMBL5096612 0.82 AAK1 (0.40) AAK1EGFRRAF1KDRMAP2K2
SCHEMBL27851760 0.81 AAK1 (0.40) AAK1MAPTMAPK1ALDH1A1POLB
SCHEMBL20061674 0.80 ALDH1A1 (0.40) GLAMAPTMAPK1ALDH1A1POLB
SCHEMBL16563517 0.79 LMNA (0.44) GLAMAPTMAPK1ALDH1A1POLB
SCHEMBL1094204 0.78 PPARA (0.40) AAK1ALDH1A1GSTP1GSTM2
SCHEMBL1094206 0.78 PPARA (0.40) AAK1ALDH1A1GSTP1GSTM2
SCHEMBL1093692 0.78 P2RY2 (0.42) AAK1MAPTALDH1A1POLBGSTP1
SCHEMBL20595629 0.77 MAPT (0.50) GLAMAPTMAPK1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 AAK1 3313/4885GLA 221/4885MAPT 418/4885

“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.