SCHEMBL5040366

SCHEMBL5040366

COc1cc(=O)n(CC(=O)O)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
ALDH1A1 P00352 3/20 0.60
MAPT P10636 2/20 0.60
PKM P14618 1/20 0.60
GLA P06280 1/20 0.56
APEX1 P27695 1/20 0.49
MAPK1 P28482 1/20 0.48
STAT3 P40763 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL11999961 0.84 KDM4E (0.74) KDM4EALDH1A1MAPTPKMMAPK1
SCHEMBL5041916 0.82 ALDH1A1 (0.60) KDM4EALDH1A1MAPTPKMGLA
SCHEMBL12002308 0.82 ALDH1A1 (0.66) KDM4EALDH1A1MAPTPKMRXFP1
SCHEMBL2797897 0.81 ALDH1A1 (0.51) KDM4EALDH1A1MAPTPKMRXFP1
SCHEMBL15709048 0.81 KDM4E (1.00) KDM4EALDH1A1GLAAPEX1MAPK1
SCHEMBL5044685 0.79 PTGDR2 (0.46) KDM4EMAPT
SCHEMBL2795612 0.78 ALDH1A1 (0.48) KDM4EALDH1A1MAPTPKMRXFP1
SCHEMBL21027277 0.77 GLA (0.64) KDM4EALDH1A1MAPTPKMGLA
SCHEMBL11192095 0.77 KDM4E (0.67) KDM4EALDH1A1GLAAPEX1
SCHEMBL5186838 0.74 KDM4E (0.66) KDM4EGLA

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-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 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 (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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KDM4E 2555/4885ALDH1A1 3142/4885MAPT 3361/4885

“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.