SCHEMBL5040337

SCHEMBL5040337

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
UBE2M P61081 5/20 0.44
DCUN1D1 Q96GG9 5/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 4/20 0.41
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
OPRM1 P35372 7/20 0.40
TMEM97 Q5BJF2 3/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL5040128 0.92 UBE2M (0.43) THRBUBE2MDCUN1D1TP53LMNA
SCHEMBL5040901 0.91 THRB (0.46) THRBUBE2MDCUN1D1TP53LMNA
SCHEMBL2800827 0.90 LMNA (0.47) THRBUBE2MDCUN1D1TP53LMNA
SCHEMBL2799416 0.89 THRB (0.43) THRBUBE2MDCUN1D1TP53LMNA
SCHEMBL2799418 0.87 THRB (0.38) THRBUBE2MDCUN1D1TP53LMNA
SCHEMBL5046584 0.86 UBE2M (0.45) THRBUBE2MDCUN1D1TP53LMNA
SCHEMBL5040133 0.84 KCNH2 (0.47) THRBUBE2MDCUN1D1LMNAKCNH2
SCHEMBL12000224 0.83 SLC2A1 (0.50) TP53KCNH2MCHR1
Hydrochloric Acid SCHEMBL2796401 0.82 SLC2A1 (0.51) KCNH2MCHR1
SCHEMBL2800143 0.81 UBE2M (0.39) THRBUBE2MDCUN1D1TP53LMNA

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 THRB 4509/4885UBE2M 826/4885DCUN1D1 1635/4885

“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.