SCHEMBL12002151

SCHEMBL12002151

BN(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)cc(C)c3ccc(C4CCCCC4)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.43
DRD2 P14416 4/20 0.34
DRD4 P21917 4/20 0.34
DRD3 P35462 2/20 0.34
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
THRB P10828 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
CTSL P07711 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL12002225 0.89 KCNH2 (0.46) KCNH2LMNATP53THRBHTR1A
SCHEMBL2797889 0.89 KCNH2 (0.43) KCNH2LMNATP53THRBUBE2M
SCHEMBL13264455 0.87 KCNH2 (0.45) KCNH2LMNATP53THRBHTR1A
SCHEMBL13264482 0.87 KCNH2 (0.45) KCNH2LMNATP53THRBHTR1A
SCHEMBL13264454 0.87 KCNH2 (0.45) KCNH2DRD2DRD3LMNATP53
SCHEMBL12002222 0.87 KCNH2 (0.45) KCNH2LMNATHRB
SCHEMBL12002156 0.87 KCNH2 (0.45) KCNH2LMNATP53THRBHTR1A
SCHEMBL12002158 0.86 KCNH2 (0.43) KCNH2LMNATP53THRB
SCHEMBL12002139 0.86 KCNH2 (0.59) KCNH2HTR1ASLC6A4
SCHEMBL12002150 0.85 KCNH2 (0.44) KCNH2LMNATP53THRBUBE2M

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-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US 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 (2 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 KCNH2 578/4885DRD2 873/4885DRD4 866/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885DRD2 2745/4885DRD4 2539/4885

“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.