SCHEMBL2797153

SCHEMBL2797153

CNC(=O)COc1cccc2c1ccc(=O)n2CCN1CCC(NCc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.47
ALDH1A1 P00352 1/20 0.44
MCHR1 Q99705 1/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC2A1 P11166 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
Hydrochloric Acid SCHEMBL2796186 0.99 KCNH2 (0.46) KCNH2ALDH1A1MCHR1MAPTKMT2A
SCHEMBL2797361 0.92 KCNH2 (0.47) KCNH2ALDH1A1MCHR1SLC2A1SMN1; SMN2
Hydrochloric Acid SCHEMBL2796093 0.91 KCNH2 (0.46) KCNH2ALDH1A1MCHR1SLC2A1SMN1; SMN2
SCHEMBL12000206 0.90 KDM4E (0.48) KCNH2ALDH1A1MCHR1MAPTKMT2A
SCHEMBL13264459 0.89 KCNH2 (0.50) KCNH2SLC2A1
SCHEMBL12000108 0.88 KCNH2 (0.53) KCNH2SLC2A1
SCHEMBL5042237 0.87 ALDH1A1 (0.42) KCNH2ALDH1A1MCHR1MAPTKMT2A
Hydrochloric Acid SCHEMBL2796081 0.87 KCNH2 (0.53) KCNH2SLC2A1
SCHEMBL2797150 0.85 KCNH2 (0.45) KCNH2MCHR1SLC2A1SMN1; SMN2
Hydrochloric Acid SCHEMBL2796190 0.85 KCNH2 (0.45) KCNH2MCHR1SLC2A1SMN1; SMN2

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 8 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-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
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
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US 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 (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 578/4885ALDH1A1 2925/4885MCHR1 2848/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885ALDH1A1 3142/4885MCHR1 4487/4885

“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.