SCHEMBL3970468

SCHEMBL3970468

CC(=O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.79
PRNP P04156 1/20 0.65
PPARG P37231 1/20 0.65
RXFP1 Q9HBX9 1/20 0.65
NR2E3 Q9Y5X4 1/20 0.65
NCOR2 Q9Y618 1/20 0.65
HTT P42858 1/20 0.62
DHODH Q02127 2/20 0.48
CASP3 P42574 4/20 0.47
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46
PTGFR P43088 5/20 0.46
AURKA O14965 1/20 0.43
KDR P35968 1/20 0.43
AURKB Q96GD4 1/20 0.43
AKR1B10 O60218 1/20 0.42

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
SCHEMBL3970605 0.91 PRNP (0.79) ALDH1A1PRNPPPARGRXFP1NR2E3
SCHEMBL2822472 0.88 ALDH1A1 (1.00) ALDH1A1PRNPPPARGRXFP1NR2E3
SCHEMBL13881528 0.88 ALDH1A1 (0.60) ALDH1A1PRNPPPARGRXFP1NR2E3
SCHEMBL2824330 0.87 PRNP (0.61) ALDH1A1PRNPPPARGRXFP1NR2E3
SCHEMBL13881531 0.86 RXFP1 (0.60) ALDH1A1PRNPPPARGRXFP1NR2E3
SCHEMBL2821075 0.85 PRNP (0.59) ALDH1A1PRNPPPARGRXFP1NR2E3
SCHEMBL3964820 0.84 PRNP (0.58) ALDH1A1PRNPPPARGRXFP1NR2E3
SCHEMBL3966576 0.82 PRNP (0.56) ALDH1A1PRNPPPARGRXFP1NR2E3
SCHEMBL31442477 0.79 ALDH1A1 (0.74) ALDH1A1PRNPPPARGRXFP1NR2E3
SCHEMBL31442647 0.78 ALDH1A1 (0.76) ALDH1A1PRNPPPARGRXFP1NR2E3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009041904-A1 QUINOLINE COMPOUNDS HAVING AN ACTIVITY AGAINST THE GABAB RECEPTOR ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
WO-2009041904-A1 QUINOLINE COMPOUNDS HAVING AN ACTIVITY AGAINST THE GABAB RECEPTOR ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 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-20090088441-A1 Quinoline Compounds GABRB1, HRH2, GABRA5 ALDH1A1 2256/4885PRNP 3104/4885PPARG 615/4885

“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.