SCHEMBL5046776

SCHEMBL5046776

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
PTGDR2 Q9Y5Y4 10/20 0.46
AKR1B1 P15121 2/20 0.44
EGLN3 Q9H6Z9 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
CCR2 P41597 1/20 0.41

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
SCHEMBL5044716 0.85 PTGDR2 (0.52) KDM4EPTGDR2AKR1B1
SCHEMBL5041882 0.82 PTGDR2 (0.48) KDM4EPTGDR2AKR1B1EGLN3CCR2
SCHEMBL11999983 0.82 KDM4E (0.54) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL2795947 0.81 MAT2A (0.40) EGLN3MAPTKMT2ACCR2
SCHEMBL2798863 0.78 KMT2A (0.39) EGLN3MEN1ALDH1A1HPGDKMT2A
SCHEMBL21027094 0.78 GLA (0.43) KDM4EPTGDR2AKR1B1EGLN3MEN1
SCHEMBL17580899 0.76 PTGDR2 (0.45) KDM4EPTGDR2CCR2
SCHEMBL21027112 0.75 PTGDR2 (0.44) PTGDR2AKR1B1EGLN3
SCHEMBL21027000 0.74 GLA (0.74) KDM4EPTGDR2ALDH1A1MAPTCYP2C9
SCHEMBL21027103 0.73 GLA (0.51) PTGDR2AKR1B1MEN1CYP2C9KMT2A

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 2555/4885PTGDR2 4185/4885AKR1B1 4243/4885

“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.