SCHEMBL7574850

SCHEMBL7574850

CCOC(=O)C1=C[N+]([O-])(C2CC2)c2cc(Br)ccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 2/20 0.39
APAF1 O14727 1/20 0.39
KDM1A O60341 1/20 0.37
TDP2 O95551 1/20 0.37
ESR1 P03372 1/20 0.36
GABRA1 P14867 4/20 0.36
GABRA3 P34903 4/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA2 P47869 3/20 0.36
GABRA6 Q16445 3/20 0.36
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
CASP3 P42574 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7576607 0.79 MEN1 (0.38) SMAD3APAF1ESR1ALDH1A1MAPK1
SCHEMBL7585608 0.75 APAF1 (0.32) SMAD3APAF1KDM1ATDP2LMNA
SCHEMBL7121830 0.73 PPARG (0.40) SMAD3APAF1KDM1ATDP2ESR1
SCHEMBL18589496 0.69 SMAD3 (0.45) SMAD3APAF1KDM1ATDP2ESR1
SCHEMBL9134338 0.67 SMAD3 (0.42) SMAD3APAF1KDM1ATDP2ESR1
SCHEMBL5059324 0.66 SMAD3 (0.35) SMAD3APAF1KDM1AESR1GABRA1
SCHEMBL4386785 0.64 MAP2K2 (0.35) TDP2GABRA1GABRA3GABRG2GABRB3
SCHEMBL8158480 0.61 CA12 (0.57) SMAD3APAF1KDM1AESR1GABRA1
SCHEMBL14321044 0.60 ALDH1A1 (0.54) GABRA1GABRA3GABRB1GABRB2ALDH1A1
SCHEMBL39978 0.60 MEN1 (0.53) GABRA1GABRA3GABRB1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials ABBOTT LABORATORIES 2002-04-25 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-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials NQO2, NQO1, NDUFA7 SMAD3 4416/4885APAF1 1680/4885KDM1A 1560/4885

“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.