SCHEMBL3103282

SCHEMBL3103282

CCOC(=O)c1[nH]c2ccc(Br)cc2c(=O)c1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.62
GABRB1 P18505 1/20 0.62
GABRA3 P34903 1/20 0.62
GABRB2 P47870 1/20 0.62
ALDH1A1 P00352 6/20 0.57
MAPT P10636 4/20 0.57
KDM4E B2RXH2 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HPGD P15428 2/20 0.57
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 4/20 0.52
HIF1A Q16665 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
PRNP P04156 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL3011731 0.91 ALDH1A1 (0.69) GABRA1GABRB1GABRA3GABRB2ALDH1A1
SCHEMBL18449769 0.87 GABRA1 (0.59) GABRA1GABRB1GABRA3GABRB2ALDH1A1
SCHEMBL6643173 0.86 ALDH1A1 (0.69) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL13096559 0.84 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL7556498 0.84 ALDH1A1 (0.54) GABRA1GABRB1GABRA3GABRB2ALDH1A1
SCHEMBL3001929 0.83 HIF1A (0.71) GABRA1GABRB1GABRA3GABRB2ALDH1A1
SCHEMBL7921819 0.83 ALDH1A1 (0.53) GABRA1GABRB1GABRA3GABRB2ALDH1A1
SCHEMBL333983 0.83 ALDH1A1 (0.53) GABRA1GABRB1GABRA3GABRB2ALDH1A1
SCHEMBL3013033 0.83 ALDH1A1 (0.53) GABRA1GABRB1GABRA3GABRB2ALDH1A1
SCHEMBL24074581 0.82 ALDH1A1 (0.58) GABRA1GABRB1GABRA3GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK GABRA1 3690/4885GABRB1 2971/4885GABRA3 3702/4885

“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.