SCHEMBL5629558

SCHEMBL5629558

CNc1cc(N)cc(C(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.49
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 6/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GAA P10253 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 1/20 0.46
XDH P47989 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
FUT7 Q11130 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL10932496 0.86 CA12 (0.56) KDM4EHSD17B10ALDH1A1CA12CA1
SCHEMBL3284842 0.86 KDM4E (0.59) KDM4EHSD17B10ALDH1A1CA12CA1
SCHEMBL27400142 0.84 ATAD2 (0.46) ATAD2KDM4EHSD17B10ALDH1A1CA12
SCHEMBL654773 0.84 CA1 (0.58) ATAD2KDM4EHSD17B10ALDH1A1CA12
SCHEMBL111187 0.84 CA12 (0.58) ATAD2KDM4EHSD17B10ALDH1A1CA12
Hydrochloric Acid SCHEMBL9494959 0.82 CA1 (0.56) ATAD2KDM4EHSD17B10ALDH1A1CA12
Hydrochloric Acid SCHEMBL111186 0.82 CA12 (0.56) ATAD2KDM4EHSD17B10ALDH1A1CA12
SCHEMBL12878515 0.81 KDM4E (0.52) KDM4EHSD17B10ALDH1A1CA12CA1
SCHEMBL19935621 0.81 ALDH1A1 (0.39) KDM4EALDH1A1LMNAPOLBL3MBTL1
SCHEMBL7808453 0.81 PRKCI (0.46) KDM4EALDH1A1TDP1MAPTHPGD

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-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 US disclosed
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 WO 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-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases PTGER1, PTGDR, PTGIR ATAD2 3919/4885KDM4E 1761/4885HSD17B10 1671/4885

“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.