SCHEMBL5046704

SCHEMBL5046704

Nc1cccc2c1ccc(=O)n2CCN1CCC(N(Cc2ccc3c(c2)OCCO3)C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 9/20 0.45
DCUN1D1 Q96GG9 9/20 0.45
LMNA P02545 5/20 0.42
THRB P10828 2/20 0.39
TP53 P04637 2/20 0.38
OPRM1 P35372 2/20 0.38
TMEM97 Q5BJF2 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
SCHEMBL2799801 0.91 UBE2M (0.45) UBE2MDCUN1D1LMNATHRBTP53
SCHEMBL5040065 0.90 UBE2M (0.45) UBE2MDCUN1D1LMNATHRBTP53
SCHEMBL5046584 0.90 UBE2M (0.45) UBE2MDCUN1D1LMNATHRBTP53
SCHEMBL2797187 0.89 UBE2M (0.41) UBE2MDCUN1D1LMNATHRBTP53
SCHEMBL5042229 0.88 LMNA (0.49) UBE2MDCUN1D1LMNATHRBOPRM1
SCHEMBL5040077 0.88 LMNA (0.46) UBE2MDCUN1D1LMNATHRBTP53
SCHEMBL12002184 0.88 KCNH2 (0.35) UBE2MDCUN1D1LMNA
SCHEMBL2797392 0.88 UBE2M (0.43) UBE2MDCUN1D1LMNATHRBTP53
SCHEMBL5044720 0.87 UBE2M (0.44) UBE2MDCUN1D1LMNATHRBTP53
SCHEMBL5040850 0.87 LMNA (0.47) UBE2MDCUN1D1LMNATHRBTP53

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 1635/4885LMNA 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.