SCHEMBL6880879

SCHEMBL6880879

Cc1ccc(N)c2ccc(=O)[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 1/20 0.39
ADORA1 P30542 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PARP1 P09874 2/20 0.36
NQO2 P16083 3/20 0.36
CYP19A1 P11511 1/20 0.36
HCAR1 Q9BXC0 2/20 0.35
EGFR P00533 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TNKS2 Q9H2K2 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL2611661 0.84 KDM4E (0.47) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL25095885 0.77 MAPT (0.54) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL9095612 0.77 DRD2 (0.45) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1261595 0.77 CA12 (0.47) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL13313354 0.77 DRD2 (0.50) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL12559630 0.77 CA12 (0.43) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL10215366 0.74 ADRB2 (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL12559658 0.74 TRIM24 (0.45) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL12559831 0.74 NQO2 (0.55) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2611660 0.73 BRPF1 (0.46) KDM4EALDH1A1GLAGAAHPGD

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 KDM4E 1070/4885ALDH1A1 1415/4885GLA 1798/4885

“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.