SCHEMBL5059324

SCHEMBL5059324

CCOC(=O)C1=C[N+]([O-])(CC)c2c(C)cc(Br)cc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 2/20 0.35
APAF1 O14727 1/20 0.35
KDM1A O60341 1/20 0.33
ESR1 P03372 1/20 0.32
GABRA1 P14867 3/20 0.32
GABRA3 P34903 3/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRA6 Q16445 2/20 0.32
NHERF1 O14745 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GABRB1 P18505 1/20 0.31
GABRB2 P47870 1/20 0.31
GPR35 Q9HC97 1/20 0.30
CA12 O43570 3/20 0.30
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA7 P43166 3/20 0.30

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
SCHEMBL4535878 0.91 MMP1 (0.32) TP53MAPT
SCHEMBL4386785 0.71 MAP2K2 (0.35) GABRA1GABRA3GABRG2GABRB3GABRA5
SCHEMBL7574850 0.66 SMAD3 (0.39) SMAD3APAF1KDM1AESR1GABRA1
SCHEMBL18589496 0.65 SMAD3 (0.45) SMAD3APAF1KDM1AESR1GABRA1
SCHEMBL8117147 0.63 RXFP1 (0.48) ESR1GABRA1GABRA3ALDH1A1GABRB1
SCHEMBL2712707 0.61 CA12 (0.64) ESR1NHERF1GPR35CA12CA1
SCHEMBL10180584 0.61 CA12 (0.64) ESR1NHERF1GPR35CA12CA1
SCHEMBL12326380 0.59 ALDH1A1 (0.47) GABRA1GABRA3ALDH1A1GABRB1GABRB2
SCHEMBL22083904 0.59 CYP3A4 (0.50) ALDH1A1GPR35CA12CA1CA2
SCHEMBL24270074 0.59 CYP3A4 (0.46) SMAD3APAF1ALDH1A1GPR35CA12

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-7470706-B2 Cycloalkyl-substituted 7-amino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-30 US disclosed
US-20050182087-A1 Cycloalkyl-substituted 7-amino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-08-18 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-20050182087-A1 Cycloalkyl-substituted 7-amino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SLC5A2, QPCT, GLS SMAD3 3786/4885APAF1 4018/4885KDM1A 4046/4885

“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.