SCHEMBL10330775

SCHEMBL10330775

COc1c(C)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.64
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.64
HPGD P15428 3/20 0.64
HSD17B10 Q99714 2/20 0.64
POLB P06746 1/20 0.64
PRKD3 O94806 1/20 0.64
ALOX15 P16050 1/20 0.64
OPRM1 P35372 1/20 0.64
CLK2 P49760 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
GSK3B P49841 2/20 0.62
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TOP2A P11388 5/20 0.59
TOP2B Q02880 5/20 0.59
LMNA P02545 1/20 0.57

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
SCHEMBL483223 0.90 KDM4E (0.65) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29393776 0.90 KDM4E (0.65) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL541514 0.89 KDM4E (0.64) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28424222 0.89 KDM4E (0.64) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL541515 0.89 KDM4E (0.64) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10330779 0.88 TOP2A (0.56) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30353209 0.88 KCNH2 (0.65) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28386544 0.88 KCNH2 (0.65) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5704390 0.88 KDM4E (0.63) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5455055 0.88 KDM4E (0.63) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2009012-B1 NOVEL COMPOUND HAVING HETEROCYCLIC RING RES FOUND ITSUU LAB (JP) 2014-06-25 EP 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-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-20110124597-A1 BORON CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-26 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110124597-A1 BORON CONTAINING SMALL MOLECULES BCL6B, BCL6, BLVRB KCNH2 4184/4885KDM4E 3691/4885ALDH1A1 4730/4885
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 KCNH2 519/4885KDM4E 2073/4885ALDH1A1 1307/4885
US-20100197909-A1 MUTILIN DERIVATIVE HAVING HETEROCYCLIC AROMATIC RING CARBOXYLIC ACID STRUCTURE IN SUBTITUENT AT 14-POSITION PELP1, MLN, SND1 KCNH2 4321/4885KDM4E 3997/4885ALDH1A1 1380/4885

“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.