SCHEMBL2800308

SCHEMBL2800308

CC(C)(C)OC(=O)N(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)ccc3ccccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 9/20 0.42
DCUN1D1 Q96GG9 9/20 0.42
LMNA P02545 5/20 0.41
KCNH2 Q12809 1/20 0.40
THRB P10828 2/20 0.39
CCR5 P51681 1/20 0.38
TP53 P04637 2/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL2796897 0.92 KCNH2 (0.41) UBE2MDCUN1D1LMNAKCNH2THRB
SCHEMBL12000182 0.91 UBE2M (0.39) UBE2MDCUN1D1LMNAKCNH2THRB
SCHEMBL2798158 0.90 UBE2M (0.39) UBE2MDCUN1D1LMNAKCNH2THRB
SCHEMBL12000207 0.90 UBE2M (0.42) UBE2MDCUN1D1LMNAKCNH2THRB
SCHEMBL12000189 0.90 UBE2M (0.39) UBE2MDCUN1D1LMNAKCNH2THRB
SCHEMBL2800489 0.90 KCNH2 (0.52) UBE2MDCUN1D1LMNAKCNH2
SCHEMBL12000195 0.90 LMNA (0.42) UBE2MDCUN1D1LMNATHRBCCR5
SCHEMBL12002164 0.90 KCNH2 (0.46) UBE2MDCUN1D1LMNAKCNH2
SCHEMBL10313905 0.90 UBE2M (0.43) UBE2MDCUN1D1LMNAKCNH2THRB
SCHEMBL10313903 0.90 UBE2M (0.43) UBE2MDCUN1D1LMNAKCNH2THRB

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 10 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-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-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 1317/4885LMNA 4185/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 UBE2M 826/4885DCUN1D1 1635/4885LMNA 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.