SCHEMBL5040128

SCHEMBL5040128

O=C(O)N(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)cc(Cl)c3ccc(Cl)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 7/20 0.43
DCUN1D1 Q96GG9 7/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 5/20 0.42
OPRM1 P35372 1/20 0.41
THRB P10828 2/20 0.39
KCNH2 Q12809 2/20 0.39
MCHR1 Q99705 1/20 0.39
KMT2A Q03164 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
SCHEMBL5040337 0.92 THRB (0.45) UBE2MDCUN1D1TP53LMNAOPRM1
SCHEMBL2800827 0.91 LMNA (0.47) UBE2MDCUN1D1TP53LMNAOPRM1
SCHEMBL2800143 0.89 UBE2M (0.39) UBE2MDCUN1D1TP53LMNATHRB
SCHEMBL5046584 0.87 UBE2M (0.45) UBE2MDCUN1D1TP53LMNAOPRM1
SCHEMBL2800145 0.86 LMNA (0.35) UBE2MDCUN1D1TP53LMNATHRB
SCHEMBL2798549 0.86 UBE2M (0.43) UBE2MDCUN1D1TP53LMNAOPRM1
SCHEMBL5040901 0.83 THRB (0.46) UBE2MDCUN1D1TP53LMNAOPRM1
SCHEMBL12000214 0.82 KCNH2 (0.49) KCNH2MCHR1
SCHEMBL5039774 0.82 UBE2M (0.46) UBE2MDCUN1D1TP53LMNAOPRM1
SCHEMBL12000201 0.82 LMNA (0.40) UBE2MDCUN1D1TP53LMNATHRB

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 4 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-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
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 (1 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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 UBE2M 826/4885DCUN1D1 1635/4885TP53 3711/4885

“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.