SCHEMBL4713729

SCHEMBL4713729

COc1c(N2CCN(C)CC2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.58
HPGD P15428 7/20 0.58
ALDH1A1 P00352 6/20 0.58
HSD17B10 Q99714 5/20 0.58
KCNH2 Q12809 3/20 0.58
POLB P06746 2/20 0.58
PRKD3 O94806 1/20 0.58
ALOX15 P16050 1/20 0.58
OPRM1 P35372 1/20 0.58
CLK2 P49760 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALB P02768 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 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
SCHEMBL4713727 1.00 KDM4E (0.58) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL10860972 0.89 KDM4E (0.66) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL10860981 0.89 KDM4E (0.66) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL9372290 0.89 KDM4E (0.73) KDM4EHPGDALDH1A1HSD17B10KCNH2
Hydrochloric Acid SCHEMBL9773837 0.88 KDM4E (0.71) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL30626289 0.87 KCNH2 (0.65) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL29080642 0.87 KCNH2 (0.65) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL965844 0.87 KDM4E (0.59) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL965843 0.87 KDM4E (0.59) KDM4EHPGDALDH1A1HSD17B10KCNH2
SCHEMBL968777 0.86 KCNH2 (0.52) KDM4EHPGDALDH1A1HSD17B10KCNH2

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
EP-1262477-B1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI SANKYO CO LTD (JP) 2008-09-03 EP disclosed
US-7176313-B2 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
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-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-26 US disclosed
US-20030060631-A1 Process for producing quinolonecarboxlic acids and intermediates thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US disclosed
EP-1262477-A1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 EP 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 (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-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient PGD, PPA1, FASTKD1 KDM4E 3677/4885HPGD 146/4885ALDH1A1 800/4885
US-20030060631-A1 Process for producing quinolonecarboxlic acids and intermediates thereof NQO2, QPCT, QARS1 KDM4E 1070/4885HPGD 234/4885ALDH1A1 1415/4885

“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.