SCHEMBL12001963

SCHEMBL12001963

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.45
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.40
SLC6A4 P31645 1/20 0.40
NR1H4 Q96RI1 1/20 0.38
UBE2M P61081 3/20 0.38
DCUN1D1 Q96GG9 3/20 0.38
MCHR1 Q99705 2/20 0.37
BMP1 P13497 1/20 0.37
OPRM1 P35372 2/20 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
SCHEMBL12000156 0.93 LMNA (0.41) KCNH2LMNANR1H4UBE2MDCUN1D1
SCHEMBL2796266 0.93 KCNH2 (0.53) KCNH2LMNAHTR1ASLC6A4UBE2M
SCHEMBL12002266 0.92 UBE2M (0.44) KCNH2LMNANR1H4UBE2MDCUN1D1
SCHEMBL2797521 0.92 KCNH2 (0.44) KCNH2LMNAHTR1ASLC6A4UBE2M
SCHEMBL12000204 0.91 LMNA (0.45) LMNANR1H4UBE2MDCUN1D1
SCHEMBL2794566 0.91 KCNH2 (0.44) KCNH2LMNAHTR1ASLC6A4NR1H4
SCHEMBL2798556 0.91 KCNH2 (0.45) KCNH2LMNAHTR1ASLC6A4UBE2M
SCHEMBL2798542 0.91 KCNH2 (0.49) KCNH2LMNAHTR1ASLC6A4UBE2M
SCHEMBL2801129 0.90 KCNH2 (0.43) KCNH2LMNAHTR1ASLC6A4NR1H4
SCHEMBL12001980 0.90 KCNH2 (0.43) KCNH2LMNAHTR1ASLC6A4NR1H4

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-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
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 578/4885LMNA 4185/4885HTR1A 3839/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885LMNA 2947/4885HTR1A 4059/4885

“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.