SCHEMBL2797100

SCHEMBL2797100

COc1ccc2c(C(=O)NCc3cccnc3)cc(=O)n(CCN3CCC(N(Cc4ccc5c(c4)OCCO5)C(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 2/20 0.43
DCUN1D1 Q96GG9 2/20 0.43
KCNH2 Q12809 8/20 0.43
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL12000095 0.93 UBE2M (0.44) UBE2MDCUN1D1KCNH2TP53THRB
SCHEMBL2798933 0.92 KCNH2 (0.47) UBE2MDCUN1D1KCNH2TP53HPGD
SCHEMBL13264481 0.90 KCNH2 (0.46) UBE2MDCUN1D1KCNH2TP53HPGD
SCHEMBL2795288 0.89 KCNH2 (0.43) UBE2MDCUN1D1KCNH2TP53THRB
SCHEMBL2796965 0.89 KCNH2 (0.44) UBE2MDCUN1D1KCNH2TP53THRB
SCHEMBL12002314 0.88 KCNH2 (0.43) UBE2MDCUN1D1KCNH2TP53THRB
SCHEMBL2799350 0.88 KCNH2 (0.43) UBE2MDCUN1D1KCNH2TP53THRB
SCHEMBL2798529 0.87 KCNH2 (0.45) KCNH2
SCHEMBL2798556 0.87 KCNH2 (0.45) UBE2MDCUN1D1KCNH2LMNA
SCHEMBL2797805 0.86 LMNA (0.43) UBE2MDCUN1D1KCNH2TP53THRB

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-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
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 UBE2M 2433/4885DCUN1D1 1317/4885KCNH2 578/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 UBE2M 826/4885DCUN1D1 1635/4885KCNH2 525/4885

“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.