SCHEMBL5041882

SCHEMBL5041882

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.48
CCR2 P41597 2/20 0.45
KMO O15229 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
EGLN2 Q96KS0 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
HDAC11 Q96DB2 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL12002100 0.83 KDM4E (0.51) PTGDR2KDM4EGRIN1GRIN2B
SCHEMBL2794859 0.83 HDAC1 (0.41) PTGDR2CCR2KMOHDAC1HDAC8
SCHEMBL5046776 0.82 KDM4E (0.46) PTGDR2CCR2KDM4EEGLN3AKR1B1
SCHEMBL5044716 0.82 PTGDR2 (0.52) PTGDR2KMOKDM4EAKR1B1
SCHEMBL5044685 0.81 PTGDR2 (0.46) PTGDR2KMOKDM4EAKR1B1
SCHEMBL2796882 0.80 HDAC1 (0.38) PTGDR2CCR2KMOHDAC1HDAC8
SCHEMBL21027429 0.79 PTGDR2 (0.44) PTGDR2CCR2KMOHDAC1HDAC8
SCHEMBL2797270 0.75 KARS1 (0.40) PTGDR2CCR2KMOHDAC1HDAC8
SCHEMBL29456264 0.74 MAPK9 (0.53) PTGDR2CCR2KMO
SCHEMBL3720591 0.74 MAPK9 (0.53) PTGDR2CCR2KMO

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 4185/4885CCR2 3332/4885KMO 1647/4885

“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.