SCHEMBL3019447

SCHEMBL3019447

COc1ccc2ncc(Cl)c(OC(=O)C(C)(C)C(=O)O)c2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 1/20 0.33
KCNH2 Q12809 5/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
F2 P00734 1/20 0.32
GLA P06280 1/20 0.32
CNR2 P34972 2/20 0.32
SLC22A12 Q96S37 1/20 0.32
HDAC3 O15379 1/20 0.31
APP P05067 1/20 0.31
ACHE P22303 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
PRKAG1 P54619 1/20 0.31

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
SCHEMBL3544999 0.87 KCNH2 (0.36) KCNH2
SCHEMBL2768637 0.80 KCNH2 (0.36) POLBTDP1KCNH2HDAC3APP
SCHEMBL29050321 0.76 POLB (0.42) POLBTDP1KCNH2ALDH1A1PRKAG1
SCHEMBL3213703 0.74 PTGS2 (0.38) POLBTDP1ELANENNMT
SCHEMBL1843547 0.73 KCNH2 (0.36) KCNH2
SCHEMBL29050335 0.73 HPGD (0.37) POLBTDP1KCNH2HPGDALDH1A1
SCHEMBL2768633 0.73 POLB (0.36) POLBTDP1KCNH2HPGDHDAC3
SCHEMBL2768796 0.73 SMN1; SMN2 (0.40) POLBTDP1KCNH2SMN1; SMN2
SCHEMBL14372220 0.72 PDE10A (0.36) KCNH2
SCHEMBL2770307 0.72 KCNH2 (0.36) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS BALLELL-PAGES LLUIS 2010-07-22 US disclosed
US-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 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-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS POLB 717/4885TDP1 2741/4885ELANE 399/4885
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS NRDC, NACA, NOP2 POLB 595/4885TDP1 2453/4885ELANE 336/4885
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS SDHA, SDHB, NNT POLB 502/4885TDP1 3283/4885ELANE 456/4885

“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.