SCHEMBL6880882

SCHEMBL6880882

Cc1ccc(N)c2ccc[n+]([O-])c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 4/20 0.34
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34
PARP1 P09874 3/20 0.33
IDO1 P14902 2/20 0.33
CHEK1 O14757 1/20 0.33
NEK2 P51955 1/20 0.33
LIMK1 P53667 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
EP300 Q09472 2/20 0.32
KAT8 Q9H7Z6 2/20 0.32
PKM P14618 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
SCHEMBL17714475 0.84 CYP1A2 (0.46) HSP90AA1MAPTHTTCYP3A4TSHR
SCHEMBL5894441 0.84 ALDH1A1 (0.40) HSP90AA1MAPTHTTCYP3A4TSHR
SCHEMBL31525562 0.77 MAPT (0.51) HSP90AA1MAPTHTTALDH1A1CYP1A2
SCHEMBL21645186 0.77 MAPT (0.51) HSP90AA1MAPTHTTALDH1A1CYP1A2
SCHEMBL5894663 0.77 IDO1 (0.50) HSP90AA1MAPTHTTCYP3A4TSHR
SCHEMBL1262036 0.77 HSP90AA1 (0.36) HSP90AA1MAPTHTTCYP3A4TSHR
SCHEMBL5894852 0.77 IDO1 (0.34) HSP90AA1MAPTHTTCYP3A4TSHR
SCHEMBL5894029 0.73 IDO1 (0.39) HSP90AA1MAPTHTTALDH1A1HPGD
SCHEMBL1003551 0.72 ACHE (0.38) HSP90AA1MAPTHTTALDH1A1HPGD
SCHEMBL2133978 0.69 CYP2A6 (0.43) HSP90AA1MAPTHTTTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825353-B2 AN AMINE SUBSTITUENT AT THE 7-POSITION OF THE QUINOLONE-CARBOXYLIC ACID DERIVATIVE IS PRODUCED; BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-30 US disclosed
US-20030060631-A1 Process for producing quinolonecarboxlic acids and intermediates thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US disclosed
EP-1258478-A1 PROCESS FOR PRODUCING QUINOLONECARBOXYLIC ACIDS AND INTERMEDIATES THEREOF DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 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-20030060631-A1 Process for producing quinolonecarboxlic acids and intermediates thereof NQO2, QPCT, QARS1 HSP90AA1 3142/4885MAPT 4278/4885HTT 2423/4885

“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.