SCHEMBL2794337

SCHEMBL2794337

COc1ccc2c(-c3ccccc3)cc(=O)n(CCN3CCC(N(Cc4ccc5c(c4)OCCO5)C(=O)O)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.47
OPRM1 P35372 2/20 0.44
LMNA P02545 5/20 0.43
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.41
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.38
MCHR1 Q99705 1/20 0.38
TP53 P04637 1/20 0.38
CTSD P07339 1/20 0.37

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
SCHEMBL12001980 0.92 KCNH2 (0.43) KCNH2OPRM1LMNAUBE2MDCUN1D1
SCHEMBL2796458 0.91 KCNH2 (0.47) KCNH2OPRM1LMNAUBE2MDCUN1D1
SCHEMBL2798542 0.90 KCNH2 (0.49) KCNH2OPRM1LMNAUBE2MDCUN1D1
SCHEMBL5040333 0.90 KCNH2 (0.58) KCNH2OPRM1LMNAUBE2MDCUN1D1
SCHEMBL5039995 0.88 KCNH2 (0.48) KCNH2OPRM1LMNAUBE2MDCUN1D1
SCHEMBL2798129 0.88 KCNH2 (0.47) KCNH2OPRM1LMNAUBE2MDCUN1D1
SCHEMBL5036618 0.87 KCNH2 (0.47) KCNH2OPRM1LMNAUBE2MDCUN1D1
SCHEMBL5046804 0.87 KCNH2 (0.46) KCNH2OPRM1LMNAUBE2MDCUN1D1
SCHEMBL5042261 0.86 KCNH2 (0.48) KCNH2OPRM1LMNAUBE2MDCUN1D1
SCHEMBL5036992 0.86 KCNH2 (0.46) KCNH2OPRM1LMNAUBE2MDCUN1D1

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 6 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-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
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 578/4885OPRM1 511/4885LMNA 4185/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885OPRM1 1016/4885LMNA 2947/4885

“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.