SCHEMBL9957784

SCHEMBL9957784

O=C(O)NC1CCN(CCn2c(=O)cnc3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 8/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KCNH2 Q12809 2/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
MCHR1 Q99705 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
SCHEMBL2689434 0.86 KCNH2 (0.47) KCNH2
SCHEMBL924650 0.85 KCNH2 (0.52) KCNH2
SCHEMBL921167 0.85 KCNH2 (0.46) KCNH2TSHRMEN1KMT2A
SCHEMBL920361 0.83 KCNH2 (0.62) KCNH2
SCHEMBL923527 0.83 KCNH2 (0.51) KCNH2
SCHEMBL922035 0.83 KCNH2 (0.57) KCNH2CYP3A4CYP2D6
SCHEMBL923158 0.83 KCNH2 (0.47) KCNH2
SCHEMBL2797865 0.82 DRD2 (0.43) KDM4EALDH1A1HPGDHSD17B10NPSR1
Hydrochloric Acid SCHEMBL2796760 0.82 DRD2 (0.42) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL2686089 0.81 KCNH2 (0.61) KCNH2

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-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

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 3142/4885HPGD 621/4885

“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.