SCHEMBL5044716

SCHEMBL5044716

O=C(O)Cn1c(=O)cc(Cl)c2ccc(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.52
AKR1B1 P15121 3/20 0.52
KDM4E B2RXH2 1/20 0.48
KMO O15229 1/20 0.48
AKR1A1 P14550 2/20 0.47
AKR1B10 O60218 1/20 0.46
MCL1 Q07820 1/20 0.46
RHEB Q15382 1/20 0.43

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
SCHEMBL5046776 0.85 KDM4E (0.46) PTGDR2AKR1B1KDM4E
SCHEMBL5041882 0.82 PTGDR2 (0.48) PTGDR2AKR1B1KDM4EKMO
SCHEMBL11999972 0.81 KDM4E (0.56) KDM4E
SCHEMBL2793648 0.80 MAT2A (0.54) PTGDR2AKR1B1KMO
SCHEMBL2798572 0.77 MAT2A (0.36) PTGDR2AKR1B1KMORHEB
SCHEMBL8046411 0.77 MAT2A (0.52) PTGDR2AKR1B1KMOAKR1A1AKR1B10
SCHEMBL21027234 0.77 GLA (0.74) PTGDR2AKR1B1KDM4EKMOAKR1A1
SCHEMBL21027254 0.75 PTGDR2 (0.57) PTGDR2AKR1B1KMOAKR1A1AKR1B10
SCHEMBL18180179 0.74 APEX1 (0.62) PTGDR2AKR1B1KDM4EKMOAKR1A1
SCHEMBL16176365 0.74 KDM4E (0.65) KDM4EKMO

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 PTGDR2 4185/4885AKR1B1 4243/4885KDM4E 2555/4885

“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.