SCHEMBL10330779

SCHEMBL10330779

Cc1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1OC(F)F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.56
TOP2B Q02880 6/20 0.56
KCNH2 Q12809 5/20 0.55
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 2/20 0.54
POLB P06746 1/20 0.54
PRKD3 O94806 1/20 0.54
ALOX15 P16050 1/20 0.54
OPRM1 P35372 1/20 0.54
CLK2 P49760 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
GSK3B P49841 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL3720416 0.89 TOP2A (0.58) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL10330775 0.88 KCNH2 (0.64) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL13469793 0.88 CYP3A4 (0.43) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL4747731 0.88 CYP3A4 (0.43) TOP2ATOP2BKCNH2KDM4EALDH1A1
Fluoride SCHEMBL5142576 0.87 TOP2A (0.56) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL5142579 0.86 TOP2A (0.55) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL10330765 0.83 TOP2A (0.69) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL4747727 0.83 KCNH2 (0.52) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL965164 0.82 KDM4E (0.67) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL965162 0.82 KDM4E (0.67) KCNH2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222407-B2 Mutilin derivative having heterocyclic aromatic ring carboxylic acid structure in substituent at 14-position KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-07-17 US disclosed
US-8222407-B2 Mutilin derivative having heterocyclic aromatic ring carboxylic acid structure in substituent at 14-position KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-07-17 US disclosed
US-20100197909-A1 MUTILIN DERIVATIVE HAVING HETEROCYCLIC AROMATIC RING CARBOXYLIC ACID STRUCTURE IN SUBTITUENT AT 14-POSITION KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-08-05 US disclosed
US-20100197909-A1 MUTILIN DERIVATIVE HAVING HETEROCYCLIC AROMATIC RING CARBOXYLIC ACID STRUCTURE IN SUBTITUENT AT 14-POSITION KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-08-05 US disclosed
US-7732612-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
US-7179805-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 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 (2 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-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 TOP2A 389/4885TOP2B 359/4885KCNH2 519/4885
US-20100197909-A1 MUTILIN DERIVATIVE HAVING HETEROCYCLIC AROMATIC RING CARBOXYLIC ACID STRUCTURE IN SUBTITUENT AT 14-POSITION PELP1, MLN, SND1 TOP2A 3897/4885TOP2B 4117/4885KCNH2 4321/4885

“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.